data_2e6o_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 2e6o _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 ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.59 -60.5 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -52.41 -43.88 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.3 mtp -51.8 -45.63 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.43 -29.19 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -76.92 -60.69 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.55 -27.02 35.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -83.79 -57.81 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -56.54 -25.86 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -107.66 9.07 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -60.16 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.9 t -57.24 -29.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.79 -38.77 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.99 -19.17 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.1 m -63.62 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -96.16 -26.16 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 mtm -77.67 -31.74 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -128.6 69.5 79.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.703 0.763 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.19 27.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.57 -21.58 78.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -86.33 169.51 12.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.77 163.73 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -52.08 -45.71 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -54.21 -28.8 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -42.07 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -53.44 -35.67 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m -72.8 -51.02 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.6 t -52.3 -44.46 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.6 mt -66.19 -40.75 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.01 -53.85 50.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.43 55.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -51.94 -44.44 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.43 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -69.09 -25.7 64.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -86.53 -25.9 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.92 -30.15 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 mtm -54.38 173.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -97.81 -172.62 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.01 -35.23 61.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.38 -30.43 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.5 -25.26 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -94.97 -23.71 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -51.85 -38.9 57.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.95 -32.43 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -95.96 -32.46 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -57.72 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.54 -48.05 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.93 -56.33 14.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.8 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.16 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.02 -42.4 63.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.97 -47.57 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.79 -32.5 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -74.74 -60.57 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.85 -28.74 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -80.1 -56.9 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.24 -27.56 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -104.78 9.08 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -61.22 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.89 -29.37 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -55.06 -36.79 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -94.89 -26.29 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 m -60.44 -29.54 69.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -99.04 -29.67 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 mtm -73.17 -31.17 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.7 71.1 82.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.66 32.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.23 -22.94 58.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -85.25 160.55 19.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.99 162.59 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.07 -40.87 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -56.73 -27.74 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.88 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 mm -51.8 -41.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 t -67.92 -47.79 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.1 -41.0 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -74.57 -28.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.56 -46.58 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.91 -47.17 73.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.13 -45.65 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -58.63 -36.33 73.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -66.87 -22.49 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -87.84 -34.01 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -34.14 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.9 mtm -56.84 168.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -98.25 -178.87 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -62.1 -49.4 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.56 -40.39 92.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -56.1 -25.87 47.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -100.04 -24.76 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -51.89 -38.75 57.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.8 ptp -51.98 -33.21 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -94.74 -33.99 12.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -62.08 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.38 -37.27 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.51 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.56 -53.02 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.72 -41.85 70.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.4 mtt -51.97 -45.55 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.23 -31.76 72.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.35 -60.47 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.25 -26.01 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -81.66 -56.62 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -58.5 -34.04 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.67 9.05 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -68.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.44 -35.43 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.99 -35.99 48.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -95.0 -25.47 16.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 m -64.4 -32.6 74.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -95.58 -26.2 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.8 mtm -79.1 -27.11 42.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -132.06 69.43 80.63 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.88 8.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.38 -23.71 66.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.39 161.81 19.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.92 161.14 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -52.04 -43.37 63.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -55.17 -43.95 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.68 99.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.8 mm -57.85 -46.47 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -60.35 -43.04 96.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.7 -54.98 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.02 -28.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -68.09 -47.2 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -49.68 54.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -52.04 -44.15 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -69.75 -25.42 63.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -87.44 -29.04 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -27.94 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.0 mtm -60.21 172.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -99.18 178.26 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.36 -57.13 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.49 -38.36 84.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -56.45 -25.1 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -103.59 -25.72 13.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -51.76 -39.34 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.3 ptp -51.45 -34.01 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -95.95 -29.06 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.1 m -60.78 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.21 -44.13 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.01 -55.2 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.3 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.68 -53.82 46.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -53.77 -45.44 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mtt -51.98 -46.5 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.62 -28.22 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -76.48 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.01 -25.28 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -74.58 -56.91 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -56.38 -26.05 51.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -108.5 9.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -65.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.04 -32.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -57.0 -27.16 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -92.65 -29.7 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 m -61.74 -37.25 83.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -87.92 -27.86 21.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 mtm -74.55 -34.73 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -131.57 70.9 81.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -17.04 37.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.84 -20.04 51.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -88.91 153.83 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.87 159.76 18.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -52.25 -34.46 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.47 -34.65 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.93 -38.71 27.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -51.73 -50.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.1 m -61.02 -45.77 93.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.4 t -55.68 -44.92 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -28.66 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.84 -48.46 45.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.91 82.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.62 -51.24 63.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -55.66 -40.32 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -61.99 -26.54 68.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.77 -35.22 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -71.59 -34.42 69.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.2 mtm -52.3 165.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -173.55 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -65.66 -53.85 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.92 -36.46 83.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -58.17 -22.92 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -95.53 -25.36 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -52.51 -39.0 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.1 ptp -51.74 -32.26 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -95.91 -37.23 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -61.7 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.53 -47.49 85.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.04 -62.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.39 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.97 -52.26 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -53.31 -42.8 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mtt -51.95 -44.11 63.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.26 -29.97 70.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.59 -60.53 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.76 -26.43 34.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -83.03 -55.21 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -58.51 -32.06 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.21 9.07 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -67.49 -70.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.26 -30.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -66.06 -31.87 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.29 -25.85 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.0 m -62.03 -30.73 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -99.7 -28.29 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.7 mtm -74.16 -34.35 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -125.08 69.4 58.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.21 68.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.43 -46.47 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.3 152.78 7.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.41 158.19 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -52.02 -43.97 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -53.97 -27.86 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.88 -43.88 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.53 -26.8 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -78.77 -50.01 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.1 t -55.57 -38.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.07 -34.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.01 -49.6 54.74 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -51.93 -44.59 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.67 -33.92 72.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -70.43 -24.85 62.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -89.51 -31.15 17.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.06 55.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.6 mtm -62.3 179.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -103.52 -170.56 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -72.13 -47.69 49.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.84 -36.3 75.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.63 -26.19 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -99.56 -25.83 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -51.92 -38.61 56.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 ptp -52.01 -32.83 35.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -95.75 -31.43 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -58.93 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.57 -43.12 99.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.02 -59.63 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.27 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.5 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.6 29.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -51.73 -35.52 43.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.414 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.07 -46.74 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.36 -27.91 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.48 -61.3 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.48 38.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -85.65 -31.35 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -53.36 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.23 9.09 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.38 -34.5 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -51.93 -34.18 40.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.94 -27.21 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -62.65 -31.02 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -97.14 -30.09 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.5 mtm -73.73 -34.1 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -126.34 70.05 69.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.15 22.79 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.35 -25.43 70.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.03 155.52 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.68 161.22 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -51.94 -39.18 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -55.44 -40.49 71.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.44 70.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.062 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.6 mm -54.34 -47.96 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -61.23 -45.48 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.97 -49.74 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.25 -26.27 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 mt -70.78 -44.56 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.52 -48.21 71.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -51.99 -44.47 64.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -59.33 -35.87 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -67.57 -24.56 65.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -86.69 -32.89 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.3 mtm -56.53 175.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -100.86 177.67 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -66.38 -32.29 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.2 -37.96 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.67 -24.39 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -94.18 -24.09 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -51.88 -39.04 58.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.88 -31.91 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.97 -35.7 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -52.76 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.11 -41.15 74.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.89 -59.88 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.32 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.3 84.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -56.61 -44.49 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 mtt -51.97 -47.16 64.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.69 -28.58 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -77.12 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.51 -25.58 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -82.47 -54.34 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.95 -35.4 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.936 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.39 9.04 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -66.46 -68.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.41 -28.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.87 -34.4 77.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -94.91 -26.32 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 m -63.75 -28.65 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -98.31 -26.14 14.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -78.01 -36.65 48.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.47 68.53 40.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.81 37.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.622 2.215 . . . . 0.0 112.351 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.95 -19.76 52.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -85.58 156.98 20.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.23 159.1 16.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -52.12 -37.19 53.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -59.8 -32.81 70.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.09 -40.02 24.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.79 -41.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -68.47 -51.25 45.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.8 t -52.11 -41.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 70.3 mt -73.39 -34.46 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.0 -46.95 82.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.09 -50.2 52.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -52.02 -42.26 62.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 -62.74 -34.78 77.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -71.14 -27.8 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -86.52 -26.57 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -81.32 -30.73 33.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.8 mtm -57.14 174.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -172.64 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.76 -39.91 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -56.93 -24.68 54.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -96.79 -25.03 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -51.85 -38.89 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.81 -32.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.93 -32.56 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m -56.04 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -55.29 -62.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.5 -27.13 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.78 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -51.85 -45.28 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 mtt -51.89 -45.84 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.49 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -79.52 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.9 -25.18 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -80.45 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.13 -24.69 68.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.91 9.09 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -60.48 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.86 -31.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -51.96 -36.42 49.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -94.94 -26.67 16.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 m -60.87 -29.2 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -100.59 -30.32 11.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.4 mtm -73.14 -29.41 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -131.61 71.54 80.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.715 0.769 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.23 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.06 -20.28 72.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.49 158.43 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -96.34 164.1 12.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -52.53 -33.28 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 ttm-85 -59.72 -32.13 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.83 -39.73 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.1 mm -54.8 -46.17 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -61.26 -47.02 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.5 t -57.73 -52.0 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.53 -28.92 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.69 -40.72 76.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.02 83.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.9 -40.7 61.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -61.55 -33.68 74.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -91.46 -31.29 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -27.76 53.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.0 mtm -61.07 177.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -104.29 -174.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.56 -53.46 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.85 -39.33 94.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.44 -25.14 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -102.08 -26.03 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -52.08 -38.79 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -51.89 -32.75 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -32.55 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 m -55.52 -63.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.18 -44.1 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -54.05 -61.08 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.27 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -56.32 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.7 -40.71 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.46 -32.85 74.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -35.47 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -71.77 -58.19 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -57.35 -25.69 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.56 9.06 33.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.2 -73.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.6 -29.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -62.83 -35.08 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.92 -26.3 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 m -61.2 -31.5 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -96.03 -27.37 15.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -75.75 -31.12 59.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -131.21 69.72 82.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.06 25.49 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.62 -24.7 71.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -81.62 158.78 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -95.89 162.5 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -53.32 -38.68 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.5 ttm-85 -58.1 -26.6 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.94 -41.93 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mm -51.7 -30.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 -54.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.4 t -52.61 -34.99 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -76.31 -37.64 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.17 -47.91 78.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.13 -45.2 57.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.542 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -51.94 -51.97 53.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.68 -42.2 67.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -60.63 -24.14 65.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -84.47 -33.85 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -33.5 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.0 mtm -57.97 166.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -93.04 -172.68 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.84 -50.84 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.77 -36.0 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.48 -25.75 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -98.98 -25.72 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -52.1 -38.66 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.94 -32.73 34.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.9 -30.99 13.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -59.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.19 -43.89 97.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -53.12 -58.15 8.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.05 96.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.821 0.344 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.51 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.44 -42.29 96.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.26 64.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.37 -26.74 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -83.64 -58.04 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.83 -24.02 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -82.37 -56.51 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -59.3 -33.31 70.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.24 9.16 42.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -61.47 -70.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.42 -29.71 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.72 -37.81 52.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.06 -21.78 18.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.3 m -61.49 -35.4 77.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -95.59 -30.4 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.9 mtm -72.33 -29.38 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -132.21 72.19 78.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.13 8.18 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -22.49 65.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -83.82 167.06 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.68 159.87 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.99 -39.49 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -59.44 -35.98 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.45 -41.38 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -52.08 -50.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 m -60.3 -43.05 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.4 t -61.88 -48.63 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.0 mt -63.12 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.95 -47.51 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.03 59.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -51.61 -41.35 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -63.13 -32.36 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -71.92 -25.1 61.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -85.96 -27.25 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -80.53 -30.39 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.6 mtm -58.02 175.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -100.94 -176.29 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -71.83 -27.23 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -86.3 -39.21 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.04 -25.98 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -95.74 -25.29 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.96 -38.55 56.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 ptp -52.01 -32.38 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -95.77 -37.96 10.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -57.66 9.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -39.15 93.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.12 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.3 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 -55.78 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -54.23 -43.16 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -44.12 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.48 -33.16 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -70.59 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.82 47.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -78.49 -32.29 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -72.38 -50.47 26.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -89.39 8.95 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -51.98 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.51 -32.36 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -52.02 -34.27 42.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -94.99 -25.75 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.0 m -61.63 -28.3 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -99.08 -26.54 14.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.1 mtm -76.54 -34.22 58.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -129.59 72.04 82.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.83 -25.37 52.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -83.97 154.06 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.68 159.66 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -52.01 -46.82 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -52.88 -29.14 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.3 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.5 mm -51.99 -39.77 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -66.44 -46.05 77.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.5 -34.69 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.4 mt -76.21 -28.76 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.82 -48.16 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.05 77.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.84 -38.79 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -68.1 -36.26 79.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -70.01 -25.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -81.55 -25.61 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -32.16 22.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -52.2 163.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -95.14 176.17 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.43 -62.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -56.35 -30.53 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.67 -19.05 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -98.37 -26.41 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.37 -41.13 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -50.64 -33.87 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.06 -31.1 13.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 m -59.36 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.63 -48.79 77.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -51.82 -56.55 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.81 -25.18 66.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.842 0.354 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.67 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -53.21 -42.54 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -61.78 -30.61 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -76.02 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.93 61.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -72.96 -58.36 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -59.49 -26.4 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -102.48 9.1 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ttp85 -66.47 -66.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 p -57.36 -31.54 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.82 -29.93 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -92.84 -26.12 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -62.8 -39.9 95.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.19 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.39 -28.58 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -73.08 -37.21 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.59 70.55 82.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.84 24.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.407 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.3 64.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -80.18 153.79 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.08 163.2 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -55.6 -44.58 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.9 ttt-85 -53.98 -28.09 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.29 -42.52 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.46 -40.12 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.6 t -57.79 -50.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.01 -30.58 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.67 -47.46 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.8 86.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -51.97 -44.6 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -64.87 -33.29 75.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -73.4 -25.55 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -85.75 -25.9 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -82.27 -27.98 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.9 mtm -58.32 175.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -99.12 -173.04 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -71.7 -42.57 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -35.85 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.37 -25.33 61.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -99.32 -25.12 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -51.9 -39.06 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.5 ptp -51.82 -32.5 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -95.74 -33.87 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -55.91 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.38 -42.79 98.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.64 -61.04 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.73 -38.04 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.39 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.17 -41.03 64.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 mtt -52.0 -45.94 64.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.55 -34.88 74.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -71.16 -61.54 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.24 -29.41 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -80.98 -57.05 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.62 -26.12 54.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.98 9.0 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -62.21 -72.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -54.71 -29.17 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.69 -38.52 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -94.85 -26.34 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -63.0 -29.56 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -98.72 -26.51 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -77.04 -35.97 56.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.73 68.46 42.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.756 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.13 37.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.19 -19.91 65.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -92.93 177.06 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -116.8 168.49 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -52.1 -39.44 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -56.08 -31.31 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.85 12.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 mm -51.85 -45.06 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 m -62.37 -44.06 97.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.4 -49.46 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.45 -34.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.19 -47.23 61.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.525 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -52.46 -47.24 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -57.35 -38.66 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.06 -26.84 68.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -81.75 -32.88 31.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -74.25 -35.05 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.6 mtm -54.35 166.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -95.1 -172.32 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.29 -51.36 53.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.75 -36.88 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.45 -26.16 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -101.82 -26.05 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -52.04 -38.35 56.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.7 ptp -52.03 -34.44 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -93.86 -32.85 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 m -56.07 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.75 -45.17 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -52.45 -59.41 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -37.06 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.4 p-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -57.39 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.7 -41.81 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.514 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.87 -44.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.11 -29.29 70.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -76.98 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.6 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.73 -54.01 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -57.21 -28.71 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -103.23 9.05 38.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -66.75 -72.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.03 -34.82 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -57.09 -35.23 69.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.92 -26.25 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -59.78 -30.29 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -97.51 -30.68 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.83 -27.64 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -133.28 71.97 76.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.97 -23.74 71.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -84.97 163.16 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.32 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -38.9 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -57.87 -31.11 66.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.46 -43.13 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.46 -44.44 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -60.45 -41.79 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.2 t -65.77 -55.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.36 -29.75 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.7 -48.6 74.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.1 -47.89 53.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.78 -45.34 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -61.5 -40.74 95.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -62.7 -21.65 65.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -82.16 -32.93 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -70.82 -40.89 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.4 mtm -53.2 163.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 174.61 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.09 -35.96 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -75.35 -39.33 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.35 -24.22 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -93.95 -24.02 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 -51.84 -38.76 57.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.6 ptp -52.0 -32.0 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -95.86 -37.71 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -62.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.64 -46.52 87.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -51.96 -58.92 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.23 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.14 79.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -61.69 -41.39 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -55.18 -50.55 69.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.02 -25.95 61.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -82.39 -58.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -19.28 55.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -87.74 -32.36 19.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -81.83 -43.86 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.23 9.04 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.12 -62.11 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.64 -30.2 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.63 -37.0 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -95.12 -21.16 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -62.01 -36.27 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.76 -27.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.5 mtm -75.19 -27.56 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -131.26 69.49 82.11 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -18.73 36.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.39 -21.55 58.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -82.51 175.7 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 161.38 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -52.4 -44.4 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -58.68 -27.24 64.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.3 -39.25 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.9 mm -58.68 -44.04 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 m -63.84 -41.04 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -64.78 -52.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.23 -28.96 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.79 -48.14 67.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.47 -49.12 53.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -51.81 -43.54 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -60.27 -35.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -68.65 -25.04 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.19 -31.14 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -32.5 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.26 173.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -100.08 -172.92 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -70.41 -45.46 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -36.58 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.44 -25.34 59.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -97.45 -25.21 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -52.07 -38.9 58.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.1 ptp -51.8 -32.68 32.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.9 -33.88 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 m -53.83 -63.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.46 -45.61 93.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -51.99 -60.23 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -26.38 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -49.11 78.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.49 -41.32 76.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.2 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.44 -35.09 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.08 -62.07 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.08 -28.51 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.41 -58.11 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -57.69 -25.97 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.54 9.03 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -61.82 -64.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.08 -34.19 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -57.79 -29.37 64.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.35 -29.57 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -61.53 -39.6 91.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -85.15 -28.84 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtm -73.13 -35.67 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -129.75 70.99 82.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.709 0.766 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.26 24.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.83 -25.22 76.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -87.27 157.26 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -88.13 160.34 17.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.41 -40.26 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 tpp85 -57.4 -32.13 66.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.66 -41.38 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.79 -48.05 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -48.79 78.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.36 -49.3 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.91 -26.04 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.0 -44.0 61.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.99 -44.32 92.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.87 -50.5 60.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -59.52 -33.43 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -72.08 -25.54 61.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -88.12 -30.28 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -28.18 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -60.52 176.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.51 -172.53 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.41 -50.8 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.6 -38.1 86.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -55.74 -26.06 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -98.95 -25.55 14.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -51.9 -38.78 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.97 -32.18 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -95.86 -36.86 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.23 -47.85 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.17 -57.42 9.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.68 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.543 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.9 p-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -55.75 28.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.95 -45.76 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.543 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -51.76 -48.13 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.5 -25.88 68.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -80.44 -60.57 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.91 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -73.61 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -59.93 -21.46 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -109.07 9.13 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -69.03 -45.94 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -72.08 -30.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -51.92 -37.6 53.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -94.87 -21.06 18.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -62.27 -29.09 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -103.96 -28.43 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.51 -26.15 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.86 69.7 79.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.34 -19.99 63.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -89.77 156.74 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.85 153.73 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -52.69 -34.11 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -65.67 -33.82 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.69 -38.02 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -51.25 -52.28 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 m -53.5 -44.13 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.3 -36.52 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.77 -39.94 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.22 -50.64 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.25 -48.51 47.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.72 -42.04 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -65.55 -39.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -64.72 -22.03 66.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -81.49 -29.96 33.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -31.99 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -52.13 154.17 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 179.31 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.31 -30.38 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.3 -37.67 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -58.31 -22.99 55.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -95.97 -24.42 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -52.0 -39.04 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.8 -32.55 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -29.98 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.56 -64.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.14 -42.45 99.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -58.42 -62.18 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.49 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.1 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.31 -41.7 80.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -44.74 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.98 -31.37 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -75.4 -60.68 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.06 -28.75 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -78.46 -57.02 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -58.04 -26.11 62.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.04 8.98 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -67.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.57 -31.05 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -52.49 -36.59 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.95 -26.1 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 m -60.2 -30.23 69.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -95.87 -28.01 14.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.3 mtm -75.45 -29.53 59.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -132.53 70.28 79.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.689 0.757 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.32 28.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.4 64.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.45 157.62 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.325 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.76 160.01 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -52.35 -43.68 64.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -55.28 -30.63 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.55 -44.25 16.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -51.87 -46.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -43.45 97.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.09 -41.09 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.92 -28.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.3 -47.96 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.61 63.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.94 -42.88 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -63.09 -34.55 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -69.01 -25.77 64.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -81.01 -25.98 36.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -77.15 -35.41 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.1 mtm -55.79 173.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -103.41 -178.61 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -66.08 -35.16 79.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.75 -40.14 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -57.82 -25.55 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -96.51 -24.57 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -52.05 -38.68 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.2 ptp -51.97 -32.54 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -95.91 -33.23 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -56.75 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.37 -43.62 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -54.07 -58.58 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.56 67.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.48 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -56.26 -44.49 79.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtt -51.96 -42.83 63.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 tp -67.66 -30.56 70.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.0 -62.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.71 -35.73 61.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -70.16 -58.32 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -57.91 -26.21 61.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.66 9.01 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -68.31 -71.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -54.56 -30.53 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -63.68 -33.02 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -94.88 -26.86 15.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -61.47 -33.35 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.52 -28.29 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtm -73.39 -36.48 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.38 69.98 53.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.6 29.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.87 -24.01 68.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -86.75 159.24 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -92.59 159.78 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -53.79 -28.77 36.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -66.48 -31.9 72.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.54 -35.79 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.83 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -48.01 83.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.1 t -53.12 -45.55 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.16 -33.21 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.19 -50.46 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.23 -48.83 52.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.95 -44.63 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -36.17 79.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -68.61 -25.79 65.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -85.9 -31.06 22.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -31.28 42.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.8 mtm -55.48 174.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -99.85 -170.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.81 -49.63 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -67.78 -35.47 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.01 -23.81 62.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -103.53 -24.73 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -51.78 -39.12 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.7 ptp -51.5 -35.41 40.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -93.81 -27.35 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -58.45 -65.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.9 -45.89 87.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -51.98 -57.4 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -30.35 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.804 0.335 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.6 -40.9 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.1 -45.9 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.76 -28.37 68.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.09 -59.28 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.56 -29.81 38.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -80.94 -56.49 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.08 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -105.08 9.05 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.06 -71.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.37 -30.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.57 -35.86 79.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -94.89 -26.68 16.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -31.02 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -97.81 -30.51 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtm -73.19 -26.75 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -133.65 71.64 74.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.05 -22.87 44.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.79 162.89 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.22 168.19 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -51.93 -39.03 58.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -52.68 -34.36 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.51 -43.99 16.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.2 mm -55.53 -47.67 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 m -58.85 -43.57 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.24 -56.44 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.9 mt -54.92 -28.88 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.89 -47.51 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.11 -49.59 49.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.8 -45.34 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -60.48 -35.8 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -67.94 -20.46 65.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -88.39 -31.28 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -35.55 56.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 mtm -52.73 163.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -94.79 169.51 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -53.31 -44.78 68.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.16 -40.65 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.91 -25.78 61.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -99.17 -26.19 14.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -52.02 -38.53 57.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.5 ptp -52.04 -32.74 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -95.92 -30.09 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.26 -63.66 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.22 -39.7 95.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -60.01 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.89 66.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -118.38 158.16 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -173.48 140.59 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 42.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 -175.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -52.9 155.71 2.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.13 -176.17 37.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.62 103.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 58.2 38.0 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.91 133.86 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 p -101.61 -177.43 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.69 110.53 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -115.0 -25.57 8.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t 59.24 72.44 0.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -174.79 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -132.3 157.69 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.18 27.29 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -58.94 177.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -122.52 47.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -100.96 160.62 26.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 175.81 7.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.1 mtp -104.64 90.44 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.71 173.84 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.59 -60.5 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -52.41 -43.88 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.3 mtp -51.8 -45.63 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 tp -65.43 -29.19 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -76.92 -60.69 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.55 -27.02 35.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -83.79 -57.81 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -56.54 -25.86 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -107.66 9.07 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -60.16 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.9 t -57.24 -29.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.79 -38.77 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.99 -19.17 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.1 m -63.62 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -96.16 -26.16 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 mtm -77.67 -31.74 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -128.6 69.5 79.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.703 0.763 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.19 27.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.57 -21.58 78.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -86.33 169.51 12.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.77 163.73 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -52.08 -45.71 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -54.21 -28.8 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -42.07 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -53.44 -35.67 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m -72.8 -51.02 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.6 t -52.3 -44.46 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.6 mt -66.19 -40.75 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.4 mt -55.01 -53.85 50.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.43 55.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -51.94 -44.44 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.43 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -69.09 -25.7 64.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -86.53 -25.9 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.92 -30.15 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 mtm -54.38 173.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -97.81 -172.62 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.01 -35.23 61.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.38 -30.43 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.5 -25.26 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -94.97 -23.71 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.6 ttt180 -51.85 -38.9 57.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.95 -32.43 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -95.96 -32.46 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -57.72 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.54 -48.05 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.93 -56.33 14.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.8 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -52.63 -55.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.84 -37.85 53.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.87 -30.43 62.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.05 -25.48 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.02 -43.04 8.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.6 -45.07 95.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.1 -30.53 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -74.01 -33.34 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -72.77 -37.68 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.86 -26.23 62.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.51 71.31 3.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -23.97 30.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.8 75.44 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.34 105.99 11.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -111.54 -32.92 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -113.9 28.0 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -87.37 125.28 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.64 134.59 12.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -89.15 137.7 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 134.61 56.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -132.05 2.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.92 -157.48 19.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.92 119.21 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.12 158.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -125.34 105.75 9.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.35 -27.81 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.5 p -133.99 124.26 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -62.75 160.55 35.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 157.37 60.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -100.42 104.67 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -82.73 -26.25 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.05 168.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -124.83 138.42 54.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -159.24 160.59 28.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.692 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.21 39.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.226 . . . . 0.0 112.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.8 mtp -107.95 90.62 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -68.65 157.49 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.16 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.02 -42.4 63.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.97 -47.57 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.79 -32.5 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -74.74 -60.57 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.85 -28.74 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -80.1 -56.9 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.24 -27.56 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -104.78 9.08 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -61.22 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.89 -29.37 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -55.06 -36.79 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -94.89 -26.29 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 m -60.44 -29.54 69.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -99.04 -29.67 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 mtm -73.17 -31.17 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.7 71.1 82.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.66 32.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.23 -22.94 58.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -85.25 160.55 19.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.99 162.59 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.07 -40.87 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -56.73 -27.74 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.88 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.7 mm -51.8 -41.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 t -67.92 -47.79 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.4 t -56.1 -41.0 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -74.57 -28.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.56 -46.58 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.91 -47.17 73.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.13 -45.65 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -58.63 -36.33 73.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -66.87 -22.49 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -87.84 -34.01 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -34.14 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.9 mtm -56.84 168.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -98.25 -178.87 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -62.1 -49.4 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.56 -40.39 92.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -56.1 -25.87 47.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -100.04 -24.76 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.2 ttt180 -51.89 -38.75 57.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.8 ptp -51.98 -33.21 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -94.74 -33.99 12.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -62.08 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.38 -37.27 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.51 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -54.08 -53.39 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.39 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.05 -41.89 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.21 -25.62 62.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -89.83 -23.9 21.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.22 -26.02 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -81.54 -34.47 31.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -61.11 -26.09 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -78.11 -47.26 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.7 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -114.79 73.41 3.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.04 17.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.217 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -96.93 81.08 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.6 m -95.89 33.91 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -111.09 44.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 tttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.878 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -117.72 55.2 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -64.83 115.77 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 110.11 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -93.55 62.48 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -88.95 136.65 32.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.89 -90.68 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.55 165.9 16.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -104.77 104.45 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.162 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.21 122.13 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t -155.67 126.24 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.11 103.51 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -140.69 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -111.0 160.58 28.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 119.4 6.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -118.94 134.69 55.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -72.19 125.12 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -84.96 128.65 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -120.75 46.11 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -131.79 160.62 66.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 147.84 63.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.4 mtm -81.96 95.82 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.4 168.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.56 -53.02 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.72 -41.85 70.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.4 mtt -51.97 -45.55 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.23 -31.76 72.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.35 -60.47 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.25 -26.01 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -81.66 -56.62 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -58.5 -34.04 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.67 9.05 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -68.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.44 -35.43 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.99 -35.99 48.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -95.0 -25.47 16.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 m -64.4 -32.6 74.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -95.58 -26.2 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.8 mtm -79.1 -27.11 42.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -132.06 69.43 80.63 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.88 8.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.38 -23.71 66.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.39 161.81 19.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.92 161.14 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -52.04 -43.37 63.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -55.17 -43.95 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.68 99.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 38.8 mm -57.85 -46.47 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -60.35 -43.04 96.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.7 -54.98 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.02 -28.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -68.09 -47.2 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -49.68 54.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -52.04 -44.15 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -69.75 -25.42 63.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -87.44 -29.04 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -27.94 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.0 mtm -60.21 172.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -99.18 178.26 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.36 -57.13 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.49 -38.36 84.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -56.45 -25.1 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -103.59 -25.72 13.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -51.76 -39.34 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.3 ptp -51.45 -34.01 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -95.95 -29.06 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.1 m -60.78 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.21 -44.13 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.01 -55.2 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.3 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -66.38 -55.86 13.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.46 -37.92 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.7 mt -73.81 -38.05 64.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.27 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -89.56 -23.64 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -91.9 -26.11 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -81.45 -35.14 30.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -60.41 -26.0 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -78.13 -43.76 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.15 -27.37 67.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -120.3 72.97 20.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.661 0.743 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -38.77 7.44 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.91 67.52 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 p -80.62 -26.64 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -112.95 52.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 mttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -64.55 110.35 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -123.93 155.52 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.79 179.15 19.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -67.48 99.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t 57.5 31.46 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.63 158.52 14.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.95 125.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.7 p -86.06 110.26 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.04 82.88 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p 54.72 27.23 8.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.79 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -66.12 118.65 10.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 160.58 77.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.661 0.743 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.04 19.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -141.75 164.25 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -64.31 155.73 31.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.0 m -113.42 69.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.62 51.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 157.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.84 68.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtp -109.81 90.4 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -54.13 171.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.68 -53.82 46.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -53.77 -45.44 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mtt -51.98 -46.5 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.62 -28.22 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -76.48 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.01 -25.28 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -74.58 -56.91 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -56.38 -26.05 51.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -108.5 9.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -65.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.04 -32.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -57.0 -27.16 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -92.65 -29.7 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 m -61.74 -37.25 83.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -87.92 -27.86 21.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 mtm -74.55 -34.73 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -131.57 70.9 81.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -17.04 37.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.84 -20.04 51.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -88.91 153.83 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.87 159.76 18.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -52.25 -34.46 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -59.47 -34.65 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.93 -38.71 27.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -51.73 -50.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.1 m -61.02 -45.77 93.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.4 t -55.68 -44.92 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -28.66 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.84 -48.46 45.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.91 82.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.62 -51.24 63.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -55.66 -40.32 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 31.8 t-105 -61.99 -26.54 68.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.77 -35.22 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -71.59 -34.42 69.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.2 mtm -52.3 165.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -173.55 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -65.66 -53.85 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.92 -36.46 83.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -58.17 -22.92 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -95.53 -25.36 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -52.51 -39.0 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.1 ptp -51.74 -32.26 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -95.91 -37.23 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -61.7 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.53 -47.49 85.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.04 -62.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.39 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -54.15 -54.86 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.14 -42.14 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.82 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.37 -47.89 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -52.76 -41.69 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -53.99 -42.09 68.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -65.61 -31.68 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -67.64 -39.93 84.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.94 -31.47 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -118.11 71.5 8.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -26.73 27.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -54.32 -35.26 62.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.3 m -127.15 177.37 6.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -109.36 43.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -84.23 152.02 24.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -113.25 161.17 17.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.74 -53.94 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -83.2 121.77 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -150.04 116.1 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.28 108.08 3.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.17 143.88 27.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -151.98 130.92 12.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t 54.24 73.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 t -129.98 -42.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.15 143.82 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.2 p -139.04 -178.67 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.81 160.74 41.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 80.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.91 -32.94 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -125.6 64.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -146.16 124.49 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -130.63 76.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -178.32 157.65 1.07 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 144.66 54.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.8 mtm -74.89 103.0 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.91 171.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.97 -52.26 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -53.31 -42.8 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mtt -51.95 -44.11 63.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -66.26 -29.97 70.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.59 -60.53 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.76 -26.43 34.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -83.03 -55.21 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -58.51 -32.06 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.21 9.07 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -67.49 -70.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.26 -30.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -66.06 -31.87 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.29 -25.85 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.0 m -62.03 -30.73 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -99.7 -28.29 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.7 mtm -74.16 -34.35 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -125.08 69.4 58.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.21 68.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.43 -46.47 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.3 152.78 7.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.41 158.19 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -52.02 -43.97 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 tpt180 -53.97 -27.86 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.88 -43.88 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.53 -26.8 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -78.77 -50.01 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.1 t -55.57 -38.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.07 -34.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.01 -49.6 54.74 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -51.93 -44.59 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.67 -33.92 72.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -70.43 -24.85 62.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -89.51 -31.15 17.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.06 55.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.6 mtm -62.3 179.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -103.52 -170.56 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -72.13 -47.69 49.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.84 -36.3 75.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.63 -26.19 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -99.56 -25.83 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -51.92 -38.61 56.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 ptp -52.01 -32.83 35.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -95.75 -31.43 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -58.93 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.57 -43.12 99.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.02 -59.63 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.27 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -62.45 -58.99 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.88 62.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.02 -25.92 60.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 -25.94 59.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -95.51 -45.17 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -57.97 -45.93 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.05 -30.23 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -75.21 -39.29 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -63.69 -29.58 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.1 -37.31 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.63 69.88 8.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -29.11 24.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.5 26.9 15.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.79 -27.39 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -92.4 62.76 4.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 tptm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -65.03 105.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -122.85 81.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.15 -175.64 43.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -87.21 57.73 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -123.8 100.97 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.6 68.28 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.38 167.5 22.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.53 106.14 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.133 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.14 -30.29 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -102.77 113.09 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.33 122.91 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -123.41 148.5 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 160.61 82.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 163.35 38.61 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -144.35 105.87 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.71 -42.95 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.6 m -69.43 174.24 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.5 178.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -169.1 157.59 7.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 170.35 16.69 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtp -102.68 91.96 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.5 p-10 -58.79 -176.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.6 29.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -51.73 -35.52 43.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.414 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.07 -46.74 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.36 -27.91 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.48 -61.3 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.61 -25.48 38.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -85.65 -31.35 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -53.36 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.23 9.09 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.38 -34.5 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -51.93 -34.18 40.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.94 -27.21 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -62.65 -31.02 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -97.14 -30.09 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.5 mtm -73.73 -34.1 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -126.34 70.05 69.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.15 22.79 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.35 -25.43 70.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.03 155.52 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.68 161.22 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -51.94 -39.18 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.0 ttt85 -55.44 -40.49 71.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.44 70.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.062 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.6 mm -54.34 -47.96 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -61.23 -45.48 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.97 -49.74 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.116 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.25 -26.27 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 mt -70.78 -44.56 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.52 -48.21 71.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -51.99 -44.47 64.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -59.33 -35.87 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.4 t-105 -67.57 -24.56 65.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -86.69 -32.89 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.3 mtm -56.53 175.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -100.86 177.67 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -66.38 -32.29 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.2 -37.96 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.67 -24.39 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -94.18 -24.09 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -51.88 -39.04 58.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.88 -31.91 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.97 -35.7 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -52.76 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.11 -41.15 74.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.89 -59.88 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.32 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -61.02 -58.5 8.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.54 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.9 -25.77 60.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.56 -25.45 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -99.26 -35.38 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.79 -42.01 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -53.85 -33.17 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -70.26 -29.89 66.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -80.62 -29.68 36.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.29 -28.62 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -119.17 71.08 11.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -18.68 36.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.83 56.42 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 p -132.93 166.7 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 m0 56.08 52.18 10.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 p -90.54 128.02 36.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -172.91 168.63 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.56 -39.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -83.17 137.82 33.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -134.65 60.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.8 59.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.49 89.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.427 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 m -105.29 -33.2 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 m -68.25 135.32 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 p -116.86 -47.48 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.48 131.33 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -116.79 133.6 55.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p -174.05 160.53 2.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.45 18.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -161.46 122.3 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -152.33 160.63 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -61.74 95.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.19 159.94 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 63.16 160.6 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.833 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.1 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.1 ptm -69.6 108.74 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -54.6 173.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.3 84.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -56.61 -44.49 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 mtt -51.97 -47.16 64.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.69 -28.58 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -77.12 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.51 -25.58 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -82.47 -54.34 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.95 -35.4 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.936 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.39 9.04 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -66.46 -68.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.41 -28.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.87 -34.4 77.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -94.91 -26.32 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 m -63.75 -28.65 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -98.31 -26.14 14.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -78.01 -36.65 48.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.47 68.53 40.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.81 37.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.622 2.215 . . . . 0.0 112.351 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.95 -19.76 52.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -85.58 156.98 20.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.23 159.1 16.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -52.12 -37.19 53.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -59.8 -32.81 70.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.09 -40.02 24.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.79 -41.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -68.47 -51.25 45.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 86.8 t -52.11 -41.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 70.3 mt -73.39 -34.46 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.0 -46.95 82.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.09 -50.2 52.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -52.02 -42.26 62.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 -62.74 -34.78 77.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -71.14 -27.8 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -86.52 -26.57 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -81.32 -30.73 33.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.8 mtm -57.14 174.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -172.64 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.76 -39.91 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -56.93 -24.68 54.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -96.79 -25.03 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -51.85 -38.89 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.81 -32.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.93 -32.56 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m -56.04 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -55.29 -62.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.5 -27.13 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -64.2 -59.92 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.85 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.2 mt -73.84 -27.56 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -28.79 69.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.95 -38.33 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.11 -21.55 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -82.74 -21.76 34.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -80.95 -44.26 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -62.66 -31.89 72.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.07 -37.21 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.87 73.79 12.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.34 37.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -103.26 28.28 6.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.95 -173.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -62.12 -42.82 99.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.8 48.23 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 p -128.6 120.99 27.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.72 175.12 20.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -143.41 110.9 5.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -136.62 141.01 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.6 41.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.33 117.01 4.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -139.75 131.4 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.085 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.7 131.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -123.22 -53.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 149.91 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -105.06 109.44 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -179.3 70.06 0.18 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.692 0.758 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 127.07 14.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.3 105.64 8.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.96 163.39 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.42 -31.31 16.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -133.14 149.53 52.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 160.66 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 108.23 2.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 14.7 ptm -69.26 107.24 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.78 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -51.85 -45.28 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 mtt -51.89 -45.84 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.2 tp -66.49 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -79.52 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.9 -25.18 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -80.45 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.13 -24.69 68.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.91 9.09 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -60.48 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.86 -31.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -51.96 -36.42 49.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -94.94 -26.67 16.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 m -60.87 -29.2 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -100.59 -30.32 11.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.4 mtm -73.14 -29.41 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -131.61 71.54 80.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.715 0.769 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.23 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.06 -20.28 72.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.49 158.43 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -96.34 164.1 12.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -52.53 -33.28 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 36.9 ttm-85 -59.72 -32.13 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.83 -39.73 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.1 mm -54.8 -46.17 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -61.26 -47.02 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.5 t -57.73 -52.0 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.53 -28.92 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.69 -40.72 76.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.02 83.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.9 -40.7 61.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -61.55 -33.68 74.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -91.46 -31.29 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -27.76 53.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.0 mtm -61.07 177.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -104.29 -174.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.56 -53.46 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.85 -39.33 94.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.44 -25.14 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -102.08 -26.03 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.8 ttt-85 -52.08 -38.79 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -51.89 -32.75 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -32.55 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 m -55.52 -63.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mt -61.18 -44.1 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -54.05 -61.08 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.27 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.75 -58.02 8.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.87 -38.49 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -74.42 -25.73 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.31 -25.13 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.27 -44.1 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.89 -26.78 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.83 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 -41.93 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.89 -26.05 67.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -115.7 73.45 4.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.09 37.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.232 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.28 -26.43 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.9 m -84.12 60.41 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -116.64 84.3 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.5 mttm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -90.91 159.96 15.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -116.03 33.28 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 178.5 41.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -88.94 91.56 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.43 145.95 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.24 -91.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.36 -164.54 24.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -146.72 157.78 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.25 142.79 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.7 p -100.61 45.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.29 169.27 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.45 84.76 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 160.52 65.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -17.38 37.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.372 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 t30 56.44 34.37 24.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -92.38 -31.38 15.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 t 61.37 48.33 6.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -89.41 -19.2 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 63.04 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 150.3 67.45 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mtp -79.49 94.37 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -73.78 -176.34 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -56.32 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.7 -40.71 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.46 -32.85 74.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -35.47 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -71.77 -58.19 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -57.35 -25.69 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.56 9.06 33.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.2 -73.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.6 -29.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -62.83 -35.08 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.92 -26.3 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 m -61.2 -31.5 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -96.03 -27.37 15.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -75.75 -31.12 59.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -131.21 69.72 82.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.06 25.49 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.62 -24.7 71.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -81.62 158.78 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -95.89 162.5 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -53.32 -38.68 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.5 ttm-85 -58.1 -26.6 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.94 -41.93 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mm -51.7 -30.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 -54.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.4 t -52.61 -34.99 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -76.31 -37.64 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.17 -47.91 78.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.13 -45.2 57.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.542 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -51.94 -51.97 53.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.68 -42.2 67.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -60.63 -24.14 65.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -84.47 -33.85 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -33.5 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.0 mtm -57.97 166.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -93.04 -172.68 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.84 -50.84 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.77 -36.0 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.48 -25.75 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -98.98 -25.72 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -52.1 -38.66 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.94 -32.73 34.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.9 -30.99 13.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -59.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 mt -62.19 -43.89 97.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -53.12 -58.15 8.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.05 96.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -54.86 -31.4 59.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.47 -28.96 46.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.94 80.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.41 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -90.4 -22.54 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.14 -31.24 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.82 -37.16 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -56.6 -29.33 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -79.12 -35.38 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.98 -27.32 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.14 75.91 74.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.744 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.38 48.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -137.64 176.64 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -96.09 59.74 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -103.22 148.01 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -100.46 -179.89 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.22 122.55 4.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -123.91 156.88 35.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -73.01 150.53 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.73 -65.02 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 136.48 50.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -147.63 127.6 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.7 128.64 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -53.38 165.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.89 137.3 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -133.04 156.68 46.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.98 160.48 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 121.72 8.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -158.54 151.85 22.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.0 142.95 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -173.94 161.98 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -75.56 107.87 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -51.75 156.88 2.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 ptm -69.48 106.99 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.54 177.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.51 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.44 -42.29 96.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.26 64.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.37 -26.74 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -83.64 -58.04 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.83 -24.02 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -82.37 -56.51 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -59.3 -33.31 70.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.24 9.16 42.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -61.47 -70.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.42 -29.71 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.72 -37.81 52.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.06 -21.78 18.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.3 m -61.49 -35.4 77.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -95.59 -30.4 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.9 mtm -72.33 -29.38 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -132.21 72.19 78.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.13 8.18 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -22.49 65.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -83.82 167.06 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.68 159.87 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.99 -39.49 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -59.44 -35.98 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.45 -41.38 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -52.08 -50.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 m -60.3 -43.05 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.4 t -61.88 -48.63 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.0 mt -63.12 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.4 mt -68.95 -47.51 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.03 59.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -51.61 -41.35 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -63.13 -32.36 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -71.92 -25.1 61.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -85.96 -27.25 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -80.53 -30.39 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.6 mtm -58.02 175.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -100.94 -176.29 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -71.83 -27.23 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -86.3 -39.21 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.04 -25.98 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -95.74 -25.29 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.96 -38.55 56.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 ptp -52.01 -32.38 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -95.77 -37.96 10.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -57.66 9.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -39.15 93.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.12 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.3 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.55 -39.3 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.49 -26.14 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.93 -56.19 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.95 -25.75 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -89.88 -21.24 22.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -89.95 -17.62 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.44 -26.06 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -76.81 -31.57 57.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -74.35 -28.99 61.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.42 -34.21 48.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -120.88 71.17 19.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.31 18.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 61.29 41.07 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.98 178.76 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.6 m0 54.82 32.12 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -89.63 150.66 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -92.78 -38.86 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.34 -151.01 24.43 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -93.28 158.29 15.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.819 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -88.98 124.86 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.24 96.19 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.98 -106.44 2.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -121.2 118.24 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.148 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.9 m -110.55 -26.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -74.3 127.41 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.06 142.12 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 p -70.21 87.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 m -120.77 70.59 18.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -46.17 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.401 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.82 132.46 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -127.8 171.96 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.5 m -68.74 173.24 5.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -101.37 122.99 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 157.55 76.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 89.76 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 ptm -69.79 108.48 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.16 -174.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 -55.78 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -54.23 -43.16 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -44.12 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.0 tp -63.48 -33.16 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -70.59 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.51 -28.82 47.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -78.49 -32.29 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -72.38 -50.47 26.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -89.39 8.95 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -51.98 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.0 p -70.51 -32.36 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -52.02 -34.27 42.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -94.99 -25.75 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.0 m -61.63 -28.3 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -99.08 -26.54 14.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.1 mtm -76.54 -34.22 58.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -129.59 72.04 82.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.83 -25.37 52.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -83.97 154.06 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.68 159.66 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -52.01 -46.82 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 -52.88 -29.14 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.3 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.5 mm -51.99 -39.77 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -66.44 -46.05 77.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.1 t -57.5 -34.69 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.4 mt -76.21 -28.76 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 mt -67.82 -48.16 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.05 77.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.84 -38.79 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -68.1 -36.26 79.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -70.01 -25.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -81.55 -25.61 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -32.16 22.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -52.2 163.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -95.14 176.17 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.43 -62.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -56.35 -30.53 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.67 -19.05 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -98.37 -26.41 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -54.37 -41.13 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -50.64 -33.87 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.06 -31.1 13.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 m -59.36 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.7 mp -62.63 -48.79 77.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -51.82 -56.55 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.81 -25.18 66.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -73.48 -29.01 62.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.69 -35.12 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mp -66.59 -37.58 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.26 -23.6 19.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.64 -28.22 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -80.86 -29.3 35.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -66.28 -24.54 66.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -84.06 -33.18 24.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.67 -22.17 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -113.73 73.7 2.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.21 37.61 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.13 51.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.8 m -148.06 179.31 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.8 m0 54.93 43.9 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -155.23 166.8 32.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -91.31 128.77 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.18 167.81 40.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 p -127.55 119.9 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 t -79.0 153.0 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.24 -127.77 8.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.3 131.92 1.63 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -135.6 134.25 39.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 138.46 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -139.68 164.25 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.62 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -106.97 146.3 31.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -116.94 73.01 6.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 179.29 3.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -110.76 129.94 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -122.1 -43.29 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 m -58.83 178.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -81.43 143.24 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -55.37 160.59 3.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.08 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.1 ptm -69.51 90.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -58.19 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.87 -53.67 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -53.21 -42.54 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -61.78 -30.61 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -76.02 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.93 61.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -72.96 -58.36 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -59.49 -26.4 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -102.48 9.1 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ttp85 -66.47 -66.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 p -57.36 -31.54 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.82 -29.93 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -92.84 -26.12 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -62.8 -39.9 95.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.19 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.39 -28.58 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -73.08 -37.21 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.59 70.55 82.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.84 24.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.407 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.3 64.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -80.18 153.79 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.08 163.2 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -55.6 -44.58 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.9 ttt-85 -53.98 -28.09 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.29 -42.52 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.46 -40.12 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.6 t -57.79 -50.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.01 -30.58 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.67 -47.46 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.8 86.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -51.97 -44.6 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -64.87 -33.29 75.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -73.4 -25.55 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -85.75 -25.9 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -82.27 -27.98 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.9 mtm -58.32 175.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -99.12 -173.04 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -71.7 -42.57 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -35.85 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.37 -25.33 61.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -99.32 -25.12 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -51.9 -39.06 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.5 ptp -51.82 -32.5 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -95.74 -33.87 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -55.91 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.38 -42.79 98.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.64 -61.04 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.73 -38.04 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.13 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.73 -40.19 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.7 mt -73.03 -25.43 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.17 -25.36 55.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.087 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.58 -43.03 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -53.31 -39.34 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -57.92 -27.73 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -78.17 -36.65 47.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -36.32 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.38 -31.29 68.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -122.19 72.65 36.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -27.0 26.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.89 85.19 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.47 171.41 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.96 -1.26 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -155.39 125.72 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -155.35 -178.39 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.56 -157.12 43.7 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -133.46 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 p -121.83 170.19 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 -154.93 21.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.2 102.96 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.446 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -98.51 35.71 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.82 111.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -164.64 155.97 15.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.63 -42.54 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -57.57 112.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 160.58 3.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.14 44.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -56.84 -56.85 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -55.77 145.93 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.29 145.92 52.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -118.16 147.95 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 63.14 160.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.2 68.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.0 mmm -72.76 90.84 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.55 169.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.39 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.17 -41.03 64.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 mtt -52.0 -45.94 64.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.55 -34.88 74.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -71.16 -61.54 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.24 -29.41 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -80.98 -57.05 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.62 -26.12 54.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.98 9.0 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -62.21 -72.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -54.71 -29.17 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.69 -38.52 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -94.85 -26.34 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -63.0 -29.56 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -98.72 -26.51 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -77.04 -35.97 56.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.73 68.46 42.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.756 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.13 37.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.19 -19.91 65.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -92.93 177.06 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -116.8 168.49 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -52.1 -39.44 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -56.08 -31.31 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.85 12.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.5 mm -51.85 -45.06 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 m -62.37 -44.06 97.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.4 -49.46 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.45 -34.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.19 -47.23 61.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.525 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -52.46 -47.24 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -57.35 -38.66 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.06 -26.84 68.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -81.75 -32.88 31.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -74.25 -35.05 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.6 mtm -54.35 166.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -95.1 -172.32 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -67.29 -51.36 53.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.75 -36.88 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.45 -26.16 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -101.82 -26.05 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -52.04 -38.35 56.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.7 ptp -52.03 -34.44 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -93.86 -32.85 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 m -56.07 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mt -60.75 -45.17 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -52.45 -59.41 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -37.06 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -58.05 -58.11 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.12 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.4 mt -73.51 -26.3 60.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.02 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.09 -23.2 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -79.85 -24.6 41.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -85.07 -31.83 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -77.78 -29.62 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -77.94 -33.45 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.38 -26.17 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -118.91 72.36 11.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -36.8 10.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.96 40.54 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.4 t -157.17 153.93 28.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -1.04 42.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -81.39 149.73 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -119.31 -177.93 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.29 -132.48 11.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -153.5 161.16 42.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -117.54 108.96 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.67 -176.19 43.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.54 -54.7 0.66 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.3 m -64.97 -32.45 74.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.92 134.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 p -77.69 89.3 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.64 124.14 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.8 p -69.87 101.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -109.26 160.55 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.715 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -96.88 122.74 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -81.13 -31.77 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.6 m -60.73 151.88 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 149.9 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -51.6 156.86 2.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.5 mtm -69.59 101.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.4 p-10 -59.19 -176.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -57.39 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.7 -41.81 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.514 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.87 -44.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 tp -63.11 -29.29 70.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -76.98 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.62 -30.6 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.73 -54.01 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -57.21 -28.71 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -103.23 9.05 38.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -66.75 -72.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.03 -34.82 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -57.09 -35.23 69.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -94.92 -26.25 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -59.78 -30.29 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -97.51 -30.68 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.83 -27.64 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -133.28 71.97 76.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.97 -23.74 71.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -84.97 163.16 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.32 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -38.9 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -57.87 -31.11 66.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.46 -43.13 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.9 mm -55.46 -44.44 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -60.45 -41.79 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 68.2 t -65.77 -55.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.36 -29.75 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.5 mt -64.7 -48.6 74.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.1 -47.89 53.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.78 -45.34 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -61.5 -40.74 95.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -62.7 -21.65 65.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -82.16 -32.93 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -70.82 -40.89 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.4 mtm -53.2 163.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 174.61 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.09 -35.96 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -75.35 -39.33 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.35 -24.22 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -93.95 -24.02 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 24.3 ttt-85 -51.84 -38.76 57.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.6 ptp -52.0 -32.0 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -95.86 -37.71 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -62.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.64 -46.52 87.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -51.96 -58.92 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.23 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.88 -56.82 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.03 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.57 -28.38 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -26.23 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -95.13 -24.91 16.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -85.42 -24.37 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -86.73 -27.57 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -76.95 -25.71 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -20.77 47.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.3 -29.36 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -117.9 71.01 7.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.76 29.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t0 62.97 37.11 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.4 m -100.17 90.91 4.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -113.33 69.87 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.8 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -162.86 114.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -96.24 142.05 28.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.62 -93.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -57.55 156.58 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -83.45 -175.91 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.99 80.75 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.69 79.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -77.7 108.6 11.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.25 -26.14 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 p 53.76 28.48 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.87 165.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 p -97.46 173.6 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -124.37 160.57 52.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.38 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.224 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -64.0 120.08 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -117.59 115.08 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -116.74 27.42 9.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -107.97 173.37 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.0 160.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.78 3.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -70.65 105.53 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -54.2 173.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.14 79.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -61.69 -41.39 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -55.18 -50.55 69.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -58.02 -25.95 61.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -82.39 -58.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.45 -19.28 55.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -87.74 -32.36 19.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -81.83 -43.86 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.23 9.04 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.12 -62.11 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.64 -30.2 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.63 -37.0 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -95.12 -21.16 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -62.01 -36.27 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.76 -27.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.5 mtm -75.19 -27.56 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -131.26 69.49 82.11 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -18.73 36.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.39 -21.55 58.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -82.51 175.7 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 161.38 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -52.4 -44.4 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -58.68 -27.24 64.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.3 -39.25 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.9 mm -58.68 -44.04 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 m -63.84 -41.04 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -64.78 -52.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.23 -28.96 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.8 mt -67.79 -48.14 67.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.47 -49.12 53.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -51.81 -43.54 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -60.27 -35.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -68.65 -25.04 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.19 -31.14 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -32.5 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.26 173.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -100.08 -172.92 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -70.41 -45.46 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -36.58 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.44 -25.34 59.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -97.45 -25.21 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -52.07 -38.9 58.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.1 ptp -51.8 -32.68 32.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.9 -33.88 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 m -53.83 -63.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.46 -45.61 93.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -51.99 -60.23 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -26.38 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.74 -58.96 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -39.95 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 mt -74.16 -25.87 59.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.15 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -97.72 -41.54 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -56.05 -44.6 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -52.01 -31.35 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -75.11 -43.11 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.68 -39.32 93.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.51 -26.14 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -119.75 69.92 13.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.91 32.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.16 -45.98 89.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 p -155.12 118.45 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -1.16 42.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -120.42 36.75 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -61.84 109.45 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.09 68.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -97.58 152.25 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -95.09 164.5 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.18 79.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.66 144.85 10.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -152.41 153.94 34.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.76 -178.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -93.38 115.29 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.46 127.61 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.02 70.86 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -175.38 68.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 82.79 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -156.6 149.51 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 tttp 58.4 40.06 24.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -149.92 135.51 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -118.94 99.67 6.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -110.2 160.58 27.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.708 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.93 20.12 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ptp -107.12 93.61 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -169.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -49.11 78.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.49 -41.32 76.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.2 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.44 -35.09 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.08 -62.07 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.08 -28.51 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.41 -58.11 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -57.69 -25.97 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.54 9.03 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -61.82 -64.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.08 -34.19 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -57.79 -29.37 64.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.35 -29.57 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -61.53 -39.6 91.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -85.15 -28.84 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtm -73.13 -35.67 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -129.75 70.99 82.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.709 0.766 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.26 24.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.83 -25.22 76.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -87.27 157.26 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -88.13 160.34 17.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.41 -40.26 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 tpp85 -57.4 -32.13 66.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.66 -41.38 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.4 mm -51.79 -48.05 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -48.79 78.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.8 t -54.36 -49.3 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.91 -26.04 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.0 -44.0 61.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.99 -44.32 92.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.87 -50.5 60.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -59.52 -33.43 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -72.08 -25.54 61.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -88.12 -30.28 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -28.18 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -60.52 176.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.51 -172.53 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.41 -50.8 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.6 -38.1 86.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -55.74 -26.06 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -98.95 -25.55 14.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -51.9 -38.78 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.97 -32.18 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -95.86 -36.86 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.23 -47.85 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.17 -57.42 9.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.68 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -59.96 -57.55 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.94 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.92 -25.86 61.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.1 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -97.25 -42.75 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -56.26 -45.97 79.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -53.33 -28.56 29.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -67.73 -33.69 75.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -74.6 -34.01 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.48 -54.99 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.08 74.38 3.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.6 38.75 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.11 148.17 50.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -1.2 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 p -89.91 111.7 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -104.94 152.84 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.51 132.19 4.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -150.22 174.65 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -135.45 177.75 7.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.05 -169.86 40.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.08 -117.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -78.98 102.11 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.68 130.07 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -132.76 147.95 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 170.79 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -107.24 -53.63 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.65 160.58 81.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.61 23.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.29 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.63 139.85 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -100.78 58.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -121.56 148.71 44.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.8 104.69 13.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.37 160.62 25.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.06 4.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.213 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.5 mtp -77.78 97.8 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.543 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.9 p-10 -57.33 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -55.75 28.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.95 -45.76 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.543 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -51.76 -48.13 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.5 -25.88 68.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -80.44 -60.57 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.91 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -73.61 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -59.93 -21.46 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -109.07 9.13 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -69.03 -45.94 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -72.08 -30.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -51.92 -37.6 53.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -94.87 -21.06 18.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -62.27 -29.09 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -103.96 -28.43 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.51 -26.15 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.86 69.7 79.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.34 -19.99 63.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -89.77 156.74 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.85 153.73 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -52.69 -34.11 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -65.67 -33.82 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.69 -38.02 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.5 mm -51.25 -52.28 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 m -53.5 -44.13 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.3 -36.52 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.77 -39.94 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.22 -50.64 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.25 -48.51 47.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.72 -42.04 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -65.55 -39.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -64.72 -22.03 66.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -81.49 -29.96 33.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -31.99 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -52.13 154.17 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 179.31 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.31 -30.38 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.3 -37.67 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -58.31 -22.99 55.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -95.97 -24.42 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -52.0 -39.04 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.8 -32.55 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -29.98 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.56 -64.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.14 -42.45 99.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -58.42 -62.18 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.49 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -64.27 -53.06 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.05 71.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.52 -49.39 26.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.08 -30.98 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.13 -30.26 15.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.77 -28.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -81.33 -23.76 37.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -78.39 -38.4 41.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -21.05 66.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -91.05 -34.2 15.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.13 68.37 9.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -31.69 19.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -76.91 76.81 3.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 m -118.43 167.76 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -65.78 -30.83 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 tttt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 61.65 47.44 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -141.99 110.15 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 -65.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.555 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -106.22 111.84 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -88.6 110.47 20.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.16 99.93 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.18 43.0 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -70.04 173.28 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.87 150.83 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -80.08 -175.56 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.67 55.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -79.73 87.0 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -167.7 72.14 0.94 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 96.59 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -118.64 163.84 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -78.93 -47.32 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 t -62.33 155.13 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -62.07 179.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -123.36 157.55 61.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.632 2.222 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.48 100.22 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.62 -175.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.1 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.31 -41.7 80.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -44.74 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.98 -31.37 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -75.4 -60.68 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.06 -28.75 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -78.46 -57.02 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -58.04 -26.11 62.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.04 8.98 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -67.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.57 -31.05 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -52.49 -36.59 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.95 -26.1 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 m -60.2 -30.23 69.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -95.87 -28.01 14.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.3 mtm -75.45 -29.53 59.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -132.53 70.28 79.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.689 0.757 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.32 28.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.4 64.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.45 157.62 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.325 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.76 160.01 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -52.35 -43.68 64.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -55.28 -30.63 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.55 -44.25 16.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -51.87 -46.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -43.45 97.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.09 -41.09 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.92 -28.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.3 -47.96 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.61 63.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.94 -42.88 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -63.09 -34.55 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -69.01 -25.77 64.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -81.01 -25.98 36.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -77.15 -35.41 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.1 mtm -55.79 173.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -103.41 -178.61 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -66.08 -35.16 79.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.75 -40.14 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -57.82 -25.55 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -96.51 -24.57 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.1 ttt180 -52.05 -38.68 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.2 ptp -51.97 -32.54 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -95.91 -33.23 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -56.75 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mt -63.37 -43.62 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -54.07 -58.58 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.56 67.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -62.96 -58.99 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.82 -39.79 62.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -74.3 -25.97 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.22 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.62 -29.62 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.06 -24.63 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.23 -24.53 54.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -76.61 -43.82 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -19.45 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.9 -33.21 24.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -124.57 70.88 57.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.636 0.732 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.97 31.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -98.09 74.53 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.6 t -107.64 -58.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -1.11 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.7 mttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -137.93 148.38 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -76.0 134.26 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 117.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.83 129.13 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -77.43 157.79 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.0 48.28 0.95 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.82 -96.22 2.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -137.21 163.96 29.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.157 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.46 132.11 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -102.6 73.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.75 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 p -96.92 124.63 40.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.76 160.64 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.892 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 121.48 8.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.24 123.63 29.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -91.65 127.94 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -120.59 159.76 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -118.31 107.19 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -177.67 157.56 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.42 17.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.2 ptm -115.47 103.62 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -60.44 -175.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.48 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -56.26 -44.49 79.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtt -51.96 -42.83 63.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 tp -67.66 -30.56 70.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.0 -62.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.71 -35.73 61.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -70.16 -58.32 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -57.91 -26.21 61.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.66 9.01 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -68.31 -71.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -54.56 -30.53 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -63.68 -33.02 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -94.88 -26.86 15.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -61.47 -33.35 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.52 -28.29 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtm -73.39 -36.48 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.38 69.98 53.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.6 29.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.87 -24.01 68.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -86.75 159.24 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -92.59 159.78 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -53.79 -28.77 36.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -66.48 -31.9 72.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.54 -35.79 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.83 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -48.01 83.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.1 t -53.12 -45.55 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.16 -33.21 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.19 -50.46 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.23 -48.83 52.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.95 -44.63 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -36.17 79.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 43.6 t-105 -68.61 -25.79 65.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -85.9 -31.06 22.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -31.28 42.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.8 mtm -55.48 174.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -99.85 -170.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.81 -49.63 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -67.78 -35.47 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.01 -23.81 62.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -103.53 -24.73 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -51.78 -39.12 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.7 ptp -51.5 -35.41 40.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -93.81 -27.35 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -58.45 -65.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.9 -45.89 87.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -51.98 -57.4 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -30.35 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -61.15 -56.37 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -34.21 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.09 -40.72 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.11 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -85.04 -22.3 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -90.34 -21.51 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -81.81 -25.44 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -75.5 -31.18 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -19.03 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -74.22 -37.39 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -138.92 73.39 39.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.11 24.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -55.45 -29.37 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 m -69.1 -42.78 75.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -104.88 67.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -114.45 121.99 45.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -127.9 158.38 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.49 114.84 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -130.3 -74.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 p -127.57 128.53 45.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.78 78.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 -38.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 p -94.72 85.18 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.88 105.41 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -82.61 115.54 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.59 92.0 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -55.06 -32.88 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 160.3 83.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.654 0.74 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.99 52.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -84.13 -27.11 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -81.46 93.45 6.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -150.27 170.79 18.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -75.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.97 160.57 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -175.94 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 7.3 mtp -71.77 90.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -66.18 162.47 19.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.6 -40.9 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.1 -45.9 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.76 -28.37 68.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.09 -59.28 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.56 -29.81 38.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -80.94 -56.49 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.08 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -105.08 9.05 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.06 -71.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.37 -30.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.57 -35.86 79.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -94.89 -26.68 16.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -31.02 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -97.81 -30.51 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtm -73.19 -26.75 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -133.65 71.64 74.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.05 -22.87 44.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.79 162.89 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.22 168.19 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -51.93 -39.03 58.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.1 ttp180 -52.68 -34.36 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.51 -43.99 16.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.2 mm -55.53 -47.67 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 m -58.85 -43.57 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.7 t -65.24 -56.44 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.9 mt -54.92 -28.88 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.89 -47.51 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.11 -49.59 49.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.8 -45.34 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -60.48 -35.8 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -67.94 -20.46 65.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -88.39 -31.28 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -35.55 56.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 mtm -52.73 163.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -94.79 169.51 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -53.31 -44.78 68.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.16 -40.65 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.91 -25.78 61.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -99.17 -26.19 14.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 37.5 ttt-85 -52.02 -38.53 57.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.5 ptp -52.04 -32.74 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -95.92 -30.09 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.26 -63.66 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.22 -39.7 95.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -60.01 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.89 66.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.5 ttpt -62.81 -56.56 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.63 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.8 mt -73.95 -25.51 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.04 -28.75 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -101.76 -32.86 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.15 -23.4 67.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -78.61 -15.67 58.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -87.74 -49.31 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -57.39 -28.55 63.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -75.12 -48.42 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -128.16 70.61 78.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.2 37.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -110.54 55.1 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 p -76.11 178.7 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -64.44 -42.73 95.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 tptp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.59 -60.5 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -52.41 -43.88 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.3 mtp -51.8 -45.63 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.415 HD23 ' HD1' ' A' ' 67' ' ' TYR . 18.3 tp -65.43 -29.19 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CE1' HD22 ' A' ' 52' ' ' LEU . 32.8 t80 -76.92 -60.69 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.634 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.55 -27.02 35.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -83.79 -57.81 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -56.54 -25.86 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -107.66 9.07 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -60.16 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.9 t -57.24 -29.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.79 -38.77 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.99 -19.17 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.1 m -63.62 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -96.16 -26.16 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 mtm -77.67 -31.74 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -128.6 69.5 79.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.703 0.763 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.19 27.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.57 -21.58 78.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -86.33 169.51 12.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.77 163.73 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -52.08 -45.71 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 50' ' ' VAL . 38.6 ttm180 -54.21 -28.8 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -42.07 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -53.44 -35.67 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m -72.8 -51.02 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.6 t -52.3 -44.46 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.6 mt -66.19 -40.75 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.634 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.4 mt -55.01 -53.85 50.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.43 55.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -51.94 -44.44 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.43 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -69.09 -25.7 64.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -86.53 -25.9 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.92 -30.15 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 mtm -54.38 173.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -97.81 -172.62 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.01 -35.23 61.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.38 -30.43 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.5 -25.26 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -94.97 -23.71 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.491 ' HG2' HD12 ' A' ' 69' ' ' LEU . 34.6 ttt180 -51.85 -38.9 57.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.95 -32.43 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.415 ' HD1' HD23 ' A' ' 27' ' ' LEU . 24.5 m-85 -95.96 -32.46 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -57.72 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.0 mt -62.54 -48.05 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.93 -56.33 14.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.8 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.16 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.02 -42.4 63.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.97 -47.57 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD23 ' HD1' ' A' ' 67' ' ' TYR . 1.9 tp -60.79 -32.5 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -74.74 -60.57 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.85 -28.74 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -80.1 -56.9 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.24 -27.56 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -104.78 9.08 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -61.22 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.89 -29.37 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -55.06 -36.79 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HB3' HD12 ' A' ' 48' ' ' ILE . 8.8 m-85 -94.89 -26.29 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 m -60.44 -29.54 69.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -99.04 -29.67 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 mtm -73.17 -31.17 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.7 71.1 82.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.66 32.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.23 -22.94 58.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -85.25 160.55 19.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.99 162.59 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.07 -40.87 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.595 ' O ' HG23 ' A' ' 50' ' ' VAL . 45.6 ttp85 -56.73 -27.74 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.88 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 36' ' ' TYR . 46.7 mm -51.8 -41.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 t -67.92 -47.79 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 46' ' ' ARG . 88.4 t -56.1 -41.0 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -74.57 -28.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.56 -46.58 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.91 -47.17 73.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.13 -45.65 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -58.63 -36.33 73.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -66.87 -22.49 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -87.84 -34.01 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -34.14 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.9 mtm -56.84 168.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -98.25 -178.87 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -62.1 -49.4 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.56 -40.39 92.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -56.1 -25.87 47.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -100.04 -24.76 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.51 ' CG ' HD23 ' A' ' 69' ' ' LEU . 63.2 ttt180 -51.89 -38.75 57.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.8 ptp -51.98 -33.21 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.407 ' HD1' HD23 ' A' ' 27' ' ' LEU . 29.2 m-85 -94.74 -33.99 12.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -62.08 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' CG ' ' A' ' 65' ' ' ARG . 4.2 mm? -56.38 -37.27 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.51 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.56 -53.02 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.72 -41.85 70.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.4 mtt -51.97 -45.55 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.23 -31.76 72.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.35 -60.47 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.25 -26.01 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -81.66 -56.62 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -58.5 -34.04 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.67 9.05 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -68.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.44 -35.43 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.99 -35.99 48.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.514 ' HB3' HG23 ' A' ' 48' ' ' ILE . 6.9 m-85 -95.0 -25.47 16.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 m -64.4 -32.6 74.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -95.58 -26.2 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.8 mtm -79.1 -27.11 42.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -132.06 69.43 80.63 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.88 8.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.38 -23.71 66.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.39 161.81 19.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.92 161.14 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -52.04 -43.37 63.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 50' ' ' VAL . 26.6 tpt180 -55.17 -43.95 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.68 99.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 36' ' ' TYR . 38.8 mm -57.85 -46.47 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -60.35 -43.04 96.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 46' ' ' ARG . 70.4 t -64.7 -54.98 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.02 -28.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.581 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.5 mt -68.09 -47.2 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -49.68 54.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -52.04 -44.15 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -69.75 -25.42 63.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -87.44 -29.04 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -27.94 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.0 mtm -60.21 172.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -99.18 178.26 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.36 -57.13 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.49 -38.36 84.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -56.45 -25.1 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -103.59 -25.72 13.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.543 ' HG2' HD13 ' A' ' 69' ' ' LEU . 44.4 ttt180 -51.76 -39.34 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.3 ptp -51.45 -34.01 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -95.95 -29.06 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.1 m -60.78 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD13 ' HG2' ' A' ' 65' ' ' ARG . 10.4 mp -63.21 -44.13 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.01 -55.2 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.3 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HB1' ' HH2' ' A' ' 56' ' ' TRP . . . -53.68 -53.82 46.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -53.77 -45.44 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mtt -51.98 -46.5 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.62 -28.22 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -76.48 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.01 -25.28 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -74.58 -56.91 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -56.38 -26.05 51.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -108.5 9.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -65.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.04 -32.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -57.0 -27.16 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.632 ' HB3' HG23 ' A' ' 48' ' ' ILE . 5.7 m-85 -92.65 -29.7 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 m -61.74 -37.25 83.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -87.92 -27.86 21.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 mtm -74.55 -34.73 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -131.57 70.9 81.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -17.04 37.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.84 -20.04 51.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -88.91 153.83 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.87 159.76 18.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -52.25 -34.46 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.9 tpt180 -59.47 -34.65 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.93 -38.71 27.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' A' ' 36' ' ' TYR . 44.5 mm -51.73 -50.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.1 m -61.02 -45.77 93.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.4 t -55.68 -44.92 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -28.66 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.84 -48.46 45.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.91 82.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.62 -51.24 63.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -55.66 -40.32 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.452 ' HH2' ' HB1' ' A' ' 24' ' ' ALA . 31.8 t-105 -61.99 -26.54 68.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.77 -35.22 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -71.59 -34.42 69.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.2 mtm -52.3 165.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -173.55 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -65.66 -53.85 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.92 -36.46 83.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -58.17 -22.92 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -95.53 -25.36 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.586 ' HG2' HD23 ' A' ' 69' ' ' LEU . 14.6 ttt180 -52.51 -39.0 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.1 ptp -51.74 -32.26 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -95.91 -37.23 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -61.7 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.586 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.2 mm? -61.53 -47.49 85.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.04 -62.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.39 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.97 -52.26 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -53.31 -42.8 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mtt -51.95 -44.11 63.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 27' ' ' LEU . 6.4 tp -66.26 -29.97 70.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.59 -60.53 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.76 -26.43 34.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -83.03 -55.21 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -58.51 -32.06 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.21 9.07 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -67.49 -70.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.26 -30.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -66.06 -31.87 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.29 -25.85 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.0 m -62.03 -30.73 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -99.7 -28.29 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.7 mtm -74.16 -34.35 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -125.08 69.4 58.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.21 68.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.43 -46.47 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.3 152.78 7.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.41 158.19 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -52.02 -43.97 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.9 tpt180 -53.97 -27.86 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.88 -43.88 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.53 -26.8 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -78.77 -50.01 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 46' ' ' ARG . 68.1 t -55.57 -38.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.07 -34.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.6 mt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.01 -49.6 54.74 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -51.93 -44.59 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.67 -33.92 72.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -70.43 -24.85 62.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -89.51 -31.15 17.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.06 55.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.6 mtm -62.3 179.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -103.52 -170.56 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -72.13 -47.69 49.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.84 -36.3 75.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.63 -26.19 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -99.56 -25.83 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.631 ' HG2' HD12 ' A' ' 69' ' ' LEU . 38.4 ttt180 -51.92 -38.61 56.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 ptp -52.01 -32.83 35.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -95.75 -31.43 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -58.93 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.631 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.6 mt -62.57 -43.12 99.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.02 -59.63 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.27 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' ND2' ' HG3' ' A' ' 26' ' ' MET . 1.7 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.6 29.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -51.73 -35.52 43.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.427 ' HG3' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.07 -46.74 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.36 -27.91 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.48 -61.3 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.61 -25.48 38.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -85.65 -31.35 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -53.36 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.23 9.09 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.38 -34.5 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -51.93 -34.18 40.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.597 ' HB3' HD12 ' A' ' 48' ' ' ILE . 9.6 m-85 -94.94 -27.21 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -62.65 -31.02 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -97.14 -30.09 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.5 mtm -73.73 -34.1 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -126.34 70.05 69.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.15 22.79 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.35 -25.43 70.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.03 155.52 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.68 161.22 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -51.94 -39.18 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.682 ' O ' HG23 ' A' ' 50' ' ' VAL . 52.0 ttt85 -55.44 -40.49 71.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.44 70.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.062 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 36' ' ' TYR . 41.6 mm -54.34 -47.96 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -61.23 -45.48 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 46' ' ' ARG . 88.5 t -60.97 -49.74 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.25 -26.27 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.8 mt -70.78 -44.56 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.52 -48.21 71.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -51.99 -44.47 64.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -59.33 -35.87 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 47.4 t-105 -67.57 -24.56 65.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -86.69 -32.89 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 29.3 mtm -56.53 175.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -100.86 177.67 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -66.38 -32.29 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.2 -37.96 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.67 -24.39 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -94.18 -24.09 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.683 ' HG2' HD23 ' A' ' 69' ' ' LEU . 24.6 ttt180 -51.88 -39.04 58.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.88 -31.91 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.97 -35.7 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -52.76 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.683 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.4 mm? -70.11 -41.15 74.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.89 -59.88 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.32 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.3 84.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -56.61 -44.49 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 mtt -51.97 -47.16 64.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 27' ' ' LEU . 7.7 tp -63.69 -28.58 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -77.12 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.51 -25.58 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -82.47 -54.34 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.95 -35.4 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.936 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.39 9.04 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -66.46 -68.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.41 -28.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.87 -34.4 77.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -94.91 -26.32 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 m -63.75 -28.65 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -98.31 -26.14 14.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -78.01 -36.65 48.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.47 68.53 40.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.81 37.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.622 2.215 . . . . 0.0 112.351 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.95 -19.76 52.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' NZ ' HD11 ' A' ' 51' ' ' ILE . 55.7 mttt -85.58 156.98 20.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.23 159.1 16.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -52.12 -37.19 53.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 50' ' ' VAL . 13.9 tpt180 -59.8 -32.81 70.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.09 -40.02 24.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.79 -41.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -68.47 -51.25 45.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 46' ' ' ARG . 86.8 t -52.11 -41.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.476 HD11 ' NZ ' ' A' ' 43' ' ' LYS . 70.3 mt -73.39 -34.46 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.0 mt -64.0 -46.95 82.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.09 -50.2 52.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -52.02 -42.26 62.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 -62.74 -34.78 77.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -71.14 -27.8 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -86.52 -26.57 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -81.32 -30.73 33.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.8 mtm -57.14 174.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -172.64 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.76 -39.91 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -56.93 -24.68 54.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -96.79 -25.03 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -51.85 -38.89 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.81 -32.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.93 -32.56 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m -56.04 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -55.29 -62.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.5 -27.13 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.78 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -51.85 -45.28 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 mtt -51.89 -45.84 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD21 ' HG2' ' A' ' 70' ' ' GLU . 8.2 tp -66.49 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -79.52 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.9 -25.18 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -80.45 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.13 -24.69 68.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.91 9.09 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -60.48 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.86 -31.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -51.96 -36.42 49.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' HB3' HG23 ' A' ' 48' ' ' ILE . 8.9 m-85 -94.94 -26.67 16.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 m -60.87 -29.2 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -100.59 -30.32 11.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.4 mtm -73.14 -29.41 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -131.61 71.54 80.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.715 0.769 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.23 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.06 -20.28 72.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.49 158.43 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -96.34 164.1 12.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -52.53 -33.28 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.51 ' O ' HG23 ' A' ' 50' ' ' VAL . 36.9 ttm-85 -59.72 -32.13 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.83 -39.73 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.558 HG23 ' HB3' ' A' ' 36' ' ' TYR . 41.1 mm -54.8 -46.17 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -61.26 -47.02 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 46' ' ' ARG . 94.5 t -57.73 -52.0 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.53 -28.92 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.69 -40.72 76.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.02 83.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.9 -40.7 61.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -61.55 -33.68 74.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -91.46 -31.29 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -27.76 53.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.0 mtm -61.07 177.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -104.29 -174.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.56 -53.46 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.85 -39.33 94.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.44 -25.14 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -102.08 -26.03 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HG2' HD12 ' A' ' 69' ' ' LEU . 22.8 ttt-85 -52.08 -38.79 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -51.89 -32.75 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -32.55 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 m -55.52 -63.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.2 mt -61.18 -44.1 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.551 ' HG2' HD21 ' A' ' 27' ' ' LEU . 44.2 tp10 -54.05 -61.08 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.27 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -56.32 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.7 -40.71 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.46 -32.85 74.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -35.47 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -71.77 -58.19 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -57.35 -25.69 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.56 9.06 33.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.2 -73.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.6 -29.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -62.83 -35.08 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.92 -26.3 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 m -61.2 -31.5 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -96.03 -27.37 15.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -75.75 -31.12 59.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -131.21 69.72 82.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.06 25.49 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.62 -24.7 71.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -81.62 158.78 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -95.89 162.5 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -53.32 -38.68 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.5 ttm-85 -58.1 -26.6 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.94 -41.93 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mm -51.7 -30.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 -54.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.4 t -52.61 -34.99 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -76.31 -37.64 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.17 -47.91 78.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.13 -45.2 57.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.542 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -51.94 -51.97 53.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.68 -42.2 67.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.495 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 36.6 t-105 -60.63 -24.14 65.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -84.47 -33.85 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -33.5 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.495 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 44.0 mtm -57.97 166.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -93.04 -172.68 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.84 -50.84 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.77 -36.0 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.48 -25.75 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -98.98 -25.72 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.615 ' HG2' HD12 ' A' ' 69' ' ' LEU . 44.5 ttt180 -52.1 -38.66 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.94 -32.73 34.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.9 -30.99 13.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -59.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.615 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.0 mt -62.19 -43.89 97.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -53.12 -58.15 8.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.05 96.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.821 0.344 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.51 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.44 -42.29 96.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.26 64.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.37 -26.74 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -83.64 -58.04 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -56.83 -24.02 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -82.37 -56.51 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -59.3 -33.31 70.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.24 9.16 42.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -61.47 -70.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.42 -29.71 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.72 -37.81 52.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.06 -21.78 18.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.3 m -61.49 -35.4 77.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -95.59 -30.4 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.9 mtm -72.33 -29.38 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -132.21 72.19 78.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.13 8.18 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -22.49 65.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -83.82 167.06 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.68 159.87 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.99 -39.49 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 50' ' ' VAL . 18.6 tpp180 -59.44 -35.98 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.45 -41.38 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -52.08 -50.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 m -60.3 -43.05 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.4 t -61.88 -48.63 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.0 mt -63.12 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 29' ' ' ALA . 24.4 mt -68.95 -47.51 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.03 59.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -51.61 -41.35 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -63.13 -32.36 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -71.92 -25.1 61.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -85.96 -27.25 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -80.53 -30.39 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.6 mtm -58.02 175.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -100.94 -176.29 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -71.83 -27.23 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -86.3 -39.21 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.04 -25.98 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -95.74 -25.29 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.96 -38.55 56.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 ptp -52.01 -32.38 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -95.77 -37.96 10.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -57.66 9.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -39.15 93.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.12 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.3 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 -55.78 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -54.23 -43.16 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -44.12 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD21 ' HG2' ' A' ' 70' ' ' GLU . 14.0 tp -63.48 -33.16 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -70.59 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.702 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.51 -28.82 47.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -78.49 -32.29 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -72.38 -50.47 26.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -89.39 8.95 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -51.98 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG13 ' OE2' ' A' ' 35' ' ' GLU . 13.0 p -70.51 -32.36 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' HG13 ' A' ' 34' ' ' VAL . 17.3 mm-40 -52.02 -34.27 42.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -94.99 -25.75 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.0 m -61.63 -28.3 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -99.08 -26.54 14.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.1 mtm -76.54 -34.22 58.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -129.59 72.04 82.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.83 -25.37 52.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -83.97 154.06 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.68 159.66 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -52.01 -46.82 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.5 tpt180 -52.88 -29.14 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.3 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.5 mm -51.99 -39.77 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -66.44 -46.05 77.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 46' ' ' ARG . 91.1 t -57.5 -34.69 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.4 mt -76.21 -28.76 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.7 mt -67.82 -48.16 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.05 77.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.84 -38.79 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -68.1 -36.26 79.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -70.01 -25.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -81.55 -25.61 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -32.16 22.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -52.2 163.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -95.14 176.17 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.43 -62.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -56.35 -30.53 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.67 -19.05 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -98.37 -26.41 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 69' ' ' LEU . 7.6 ttt180 -54.37 -41.13 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -50.64 -33.87 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.06 -31.1 13.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 m -59.36 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 65' ' ' ARG . 9.7 mp -62.63 -48.79 77.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.575 ' HG2' HD21 ' A' ' 27' ' ' LEU . 8.9 tp10 -51.82 -56.55 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.81 -25.18 66.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.842 0.354 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 68' ' ' THR . . . -60.87 -53.67 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -53.21 -42.54 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -61.78 -30.61 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -76.02 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.93 61.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -72.96 -58.36 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -59.49 -26.4 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -102.48 9.1 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ttp85 -66.47 -66.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 p -57.36 -31.54 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.82 -29.93 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.656 ' HB3' HG23 ' A' ' 48' ' ' ILE . 5.8 m-85 -92.84 -26.12 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -62.8 -39.9 95.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.19 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.39 -28.58 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -73.08 -37.21 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.59 70.55 82.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.84 24.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.407 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.3 64.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -80.18 153.79 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.08 163.2 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -55.6 -44.58 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.607 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.9 ttt-85 -53.98 -28.09 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.29 -42.52 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 36' ' ' TYR . 44.9 mm -55.46 -40.12 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 46' ' ' ARG . 90.6 t -57.79 -50.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.01 -30.58 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.67 -47.46 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.8 86.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -51.97 -44.6 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -64.87 -33.29 75.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -73.4 -25.55 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -85.75 -25.9 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -82.27 -27.98 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.9 mtm -58.32 175.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -99.12 -173.04 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -71.7 -42.57 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -35.85 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.37 -25.33 61.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -99.32 -25.12 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.637 ' HG2' HD12 ' A' ' 69' ' ' LEU . 53.4 ttt180 -51.9 -39.06 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.5 ptp -51.82 -32.5 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -95.74 -33.87 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.446 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 1.3 m -55.91 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.9 mt -63.38 -42.79 98.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.64 -61.04 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.73 -38.04 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.39 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.17 -41.03 64.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 mtt -52.0 -45.94 64.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.55 -34.88 74.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -71.16 -61.54 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -52.24 -29.41 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -80.98 -57.05 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.62 -26.12 54.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.98 9.0 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -62.21 -72.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -54.71 -29.17 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.69 -38.52 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.535 ' HB3' HD12 ' A' ' 48' ' ' ILE . 10.7 m-85 -94.85 -26.34 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -63.0 -29.56 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -98.72 -26.51 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -77.04 -35.97 56.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.73 68.46 42.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.756 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.13 37.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.19 -19.91 65.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -92.93 177.06 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -116.8 168.49 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -52.1 -39.44 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 50' ' ' VAL . 67.9 ttt180 -56.08 -31.31 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.85 12.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 36' ' ' TYR . 47.5 mm -51.85 -45.06 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 m -62.37 -44.06 97.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 46' ' ' ARG . 87.3 t -61.4 -49.46 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.45 -34.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.8 mt -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.19 -47.23 61.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.525 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -52.46 -47.24 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -57.35 -38.66 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.06 -26.84 68.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -81.75 -32.88 31.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -74.25 -35.05 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.6 mtm -54.35 166.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -95.1 -172.32 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.8 p30 -67.29 -51.36 53.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.75 -36.88 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.45 -26.16 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -101.82 -26.05 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HG2' HD12 ' A' ' 69' ' ' LEU . 47.5 ttt180 -52.04 -38.35 56.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.7 ptp -52.03 -34.44 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -93.86 -32.85 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 m -56.07 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.3 mt -60.75 -45.17 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -52.45 -59.41 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -37.06 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.439 ' ND2' ' HG3' ' A' ' 26' ' ' MET . 2.0 p30 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -57.39 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.7 -41.81 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.439 ' HG3' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.87 -44.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' LEU . 6.7 tp -63.11 -29.29 70.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -76.98 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -51.62 -30.6 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.73 -54.01 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -57.21 -28.71 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -103.23 9.05 38.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -66.75 -72.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.03 -34.82 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -57.09 -35.23 69.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.67 ' HB3' HD12 ' A' ' 48' ' ' ILE . 7.3 m-85 -94.92 -26.25 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -59.78 -30.29 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -97.51 -30.68 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.83 -27.64 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -133.28 71.97 76.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.97 -23.74 71.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -84.97 163.16 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.32 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -38.9 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' ' 50' ' ' VAL . 56.6 ttp180 -57.87 -31.11 66.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.46 -43.13 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.67 HD12 ' HB3' ' A' ' 36' ' ' TYR . 44.9 mm -55.46 -44.44 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -60.45 -41.79 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 46' ' ' ARG . 68.2 t -65.77 -55.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.36 -29.75 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 29' ' ' ALA . 17.5 mt -64.7 -48.6 74.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.1 -47.89 53.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.78 -45.34 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -61.5 -40.74 95.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -62.7 -21.65 65.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -82.16 -32.93 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -70.82 -40.89 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.4 mtm -53.2 163.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 174.61 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.09 -35.96 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -75.35 -39.33 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.35 -24.22 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -93.95 -24.02 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.502 ' HG2' HD23 ' A' ' 69' ' ' LEU . 24.3 ttt-85 -51.84 -38.76 57.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.6 ptp -52.0 -32.0 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -95.86 -37.71 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -62.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.5 mm? -62.64 -46.52 87.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -51.96 -58.92 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.23 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.14 79.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -61.69 -41.39 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -55.18 -50.55 69.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.495 HD21 ' HG2' ' A' ' 70' ' ' GLU . 6.4 tp -58.02 -25.95 61.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -82.39 -58.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -60.45 -19.28 55.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -87.74 -32.36 19.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -81.83 -43.86 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.23 9.04 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.12 -62.11 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.64 -30.2 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.63 -37.0 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HB3' HD12 ' A' ' 48' ' ' ILE . 9.2 m-85 -95.12 -21.16 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -62.01 -36.27 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.76 -27.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.5 mtm -75.19 -27.56 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -131.26 69.49 82.11 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -18.73 36.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.39 -21.55 58.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -82.51 175.7 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 161.38 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -52.4 -44.4 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.6 tpm_? -58.68 -27.24 64.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.3 -39.25 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 36' ' ' TYR . 45.9 mm -58.68 -44.04 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 m -63.84 -41.04 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 46' ' ' ARG . 94.7 t -64.78 -52.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.23 -28.96 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 29' ' ' ALA . 14.8 mt -67.79 -48.14 67.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.47 -49.12 53.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -51.81 -43.54 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -60.27 -35.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -68.65 -25.04 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.19 -31.14 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -32.5 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.26 173.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -100.08 -172.92 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -70.41 -45.46 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -36.58 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.44 -25.34 59.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -97.45 -25.21 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' HG2' HD12 ' A' ' 69' ' ' LEU . 15.8 ttt-85 -52.07 -38.9 58.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.1 ptp -51.8 -32.68 32.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.9 -33.88 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 m -53.83 -63.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.3 mt -61.46 -45.61 93.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.495 ' HG2' HD21 ' A' ' 27' ' ' LEU . 8.2 tp10 -51.99 -60.23 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -26.38 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' ' 68' ' ' THR . . . -61.4 -49.11 78.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.49 -41.32 76.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.2 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.44 -35.09 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.08 -62.07 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.08 -28.51 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.41 -58.11 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -57.69 -25.97 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.54 9.03 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -61.82 -64.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.08 -34.19 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -57.79 -29.37 64.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.644 ' HB3' HG23 ' A' ' 48' ' ' ILE . 6.2 m-85 -93.35 -29.57 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -61.53 -39.6 91.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -85.15 -28.84 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtm -73.13 -35.67 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -129.75 70.99 82.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.709 0.766 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.26 24.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.83 -25.22 76.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -87.27 157.26 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -88.13 160.34 17.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.41 -40.26 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 50' ' ' VAL . 11.5 tpp85 -57.4 -32.13 66.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.66 -41.38 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' HB3' ' A' ' 36' ' ' TYR . 50.4 mm -51.79 -48.05 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -48.79 78.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 46' ' ' ARG . 89.8 t -54.36 -49.3 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.91 -26.04 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.0 -44.0 61.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.99 -44.32 92.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.87 -50.5 60.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -59.52 -33.43 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -72.08 -25.54 61.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -88.12 -30.28 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -28.18 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -60.52 176.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.51 -172.53 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.41 -50.8 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.6 -38.1 86.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -55.74 -26.06 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -98.95 -25.55 14.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.509 ' HG2' HD23 ' A' ' 69' ' ' LEU . 55.2 ttt180 -51.9 -38.78 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.97 -32.18 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -95.86 -36.86 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.4 mm? -70.23 -47.85 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.17 -57.42 9.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.68 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' HG3' ' A' ' 26' ' ' MET . 1.1 p30 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -55.75 28.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.95 -45.76 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.417 ' HG3' ' ND2' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -51.76 -48.13 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.5 -25.88 68.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -80.44 -60.57 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.91 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -73.61 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -59.93 -21.46 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -109.07 9.13 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -69.03 -45.94 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -72.08 -30.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -51.92 -37.6 53.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' HB2' HG23 ' A' ' 48' ' ' ILE . 54.4 m-85 -94.87 -21.06 18.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -62.27 -29.09 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -103.96 -28.43 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.51 -26.15 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.86 69.7 79.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.34 -19.99 63.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -89.77 156.74 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.85 153.73 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -52.69 -34.11 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -65.67 -33.82 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.69 -38.02 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 36' ' ' TYR . 44.5 mm -51.25 -52.28 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 m -53.5 -44.13 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.3 -36.52 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.77 -39.94 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 48' ' ' ILE . 4.2 mm? -54.22 -50.64 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.25 -48.51 47.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.72 -42.04 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -65.55 -39.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -64.72 -22.03 66.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -81.49 -29.96 33.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -31.99 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -52.13 154.17 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 179.31 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.31 -30.38 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.3 -37.67 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -58.31 -22.99 55.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -95.97 -24.42 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HG2' HD12 ' A' ' 69' ' ' LEU . 31.8 ttt180 -52.0 -39.04 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.8 -32.55 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -29.98 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.56 -64.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.2 mt -62.14 -42.45 99.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -58.42 -62.18 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.49 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.1 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.31 -41.7 80.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -44.74 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.512 HD23 ' HD1' ' A' ' 67' ' ' TYR . 8.1 tp -60.98 -31.37 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -75.4 -60.68 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.06 -28.75 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -78.46 -57.02 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -58.04 -26.11 62.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.04 8.98 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -67.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.57 -31.05 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -52.49 -36.59 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.95 -26.1 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 m -60.2 -30.23 69.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -95.87 -28.01 14.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.3 mtm -75.45 -29.53 59.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -132.53 70.28 79.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.689 0.757 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.32 28.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.4 64.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.45 157.62 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.325 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.76 160.01 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -52.35 -43.68 64.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 50' ' ' VAL . 13.6 tpp180 -55.28 -30.63 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.55 -44.25 16.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -51.87 -46.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -43.45 97.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 46' ' ' ARG . 57.4 t -60.09 -41.09 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.92 -28.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.0 mt -68.3 -47.96 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.61 63.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.94 -42.88 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -63.09 -34.55 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -69.01 -25.77 64.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -81.01 -25.98 36.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -77.15 -35.41 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.1 mtm -55.79 173.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -103.41 -178.61 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -66.08 -35.16 79.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.75 -40.14 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -57.82 -25.55 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -96.51 -24.57 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.613 ' HG2' HD12 ' A' ' 69' ' ' LEU . 41.1 ttt180 -52.05 -38.68 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.2 ptp -51.97 -32.54 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HD1' HD23 ' A' ' 27' ' ' LEU . 23.5 m-85 -95.91 -33.23 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -56.75 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.4 mt -63.37 -43.62 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -54.07 -58.58 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.56 67.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.48 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -56.26 -44.49 79.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtt -51.96 -42.83 63.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 67' ' ' TYR . 17.2 tp -67.66 -30.56 70.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.0 -62.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -53.71 -35.73 61.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -70.16 -58.32 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -57.91 -26.21 61.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.66 9.01 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -68.31 -71.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -54.56 -30.53 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -63.68 -33.02 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -94.88 -26.86 15.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -61.47 -33.35 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.52 -28.29 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtm -73.39 -36.48 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.38 69.98 53.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.6 29.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.87 -24.01 68.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -86.75 159.24 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -92.59 159.78 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -53.79 -28.77 36.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 50' ' ' VAL . 6.6 tpt180 -66.48 -31.9 72.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.54 -35.79 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.83 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -48.01 83.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 46' ' ' ARG . 66.1 t -53.12 -45.55 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.16 -33.21 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 29' ' ' ALA . 19.1 mt -64.19 -50.46 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.23 -48.83 52.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.95 -44.63 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -36.17 79.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.419 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 43.6 t-105 -68.61 -25.79 65.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -85.9 -31.06 22.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -31.28 42.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 21.8 mtm -55.48 174.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -99.85 -170.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.81 -49.63 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -67.78 -35.47 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.01 -23.81 62.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -103.53 -24.73 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -51.78 -39.12 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.7 ptp -51.5 -35.41 40.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.538 ' HA ' HD23 ' A' ' 27' ' ' LEU . 17.7 m-85 -93.81 -27.35 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -58.45 -65.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.9 -45.89 87.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -51.98 -57.4 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -30.35 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.804 0.335 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.6 -40.9 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.1 -45.9 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.76 -28.37 68.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.09 -59.28 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.624 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -53.56 -29.81 38.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -80.94 -56.49 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.08 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -105.08 9.05 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.06 -71.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.37 -30.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.57 -35.86 79.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.726 ' HB3' HD12 ' A' ' 48' ' ' ILE . 7.2 m-85 -94.89 -26.68 16.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -31.02 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -97.81 -30.51 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtm -73.19 -26.75 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' ILE . 50.2 m-85 -133.65 71.64 74.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.05 -22.87 44.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.79 162.89 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.22 168.19 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -51.93 -39.03 58.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.604 ' O ' HG23 ' A' ' 50' ' ' VAL . 37.1 ttp180 -52.68 -34.36 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.51 -43.99 16.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.726 HD12 ' HB3' ' A' ' 36' ' ' TYR . 45.2 mm -55.53 -47.67 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 m -58.85 -43.57 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 46' ' ' ARG . 97.7 t -65.24 -56.44 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.9 mt -54.92 -28.88 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.624 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.5 mt -67.89 -47.51 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.11 -49.59 49.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.8 -45.34 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -60.48 -35.8 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -67.94 -20.46 65.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -88.39 -31.28 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -35.55 56.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 mtm -52.73 163.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -94.79 169.51 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -53.31 -44.78 68.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.16 -40.65 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.91 -25.78 61.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -99.17 -26.19 14.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' CG ' HD12 ' A' ' 69' ' ' LEU . 37.5 ttt-85 -52.02 -38.53 57.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.5 ptp -52.04 -32.74 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -95.92 -30.09 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.26 -63.66 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD23 ' HE2' ' A' ' 72' ' ' LYS . 10.1 mt -63.22 -39.7 95.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -60.01 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.89 66.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HE2' HD23 ' A' ' 69' ' ' LEU . 24.5 ttpt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -118.38 158.16 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -173.48 140.59 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 42.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 -175.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -52.9 155.71 2.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.13 -176.17 37.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.62 103.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 58.2 38.0 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.91 133.86 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 p -101.61 -177.43 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.69 110.53 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -115.0 -25.57 8.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t 59.24 72.44 0.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -174.79 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -132.3 157.69 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.18 27.29 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -58.94 177.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -122.52 47.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -100.96 160.62 26.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 175.81 7.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.412 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 21.1 mtp -104.64 90.44 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.71 173.84 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.59 -60.5 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -52.41 -43.88 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.3 mtp -51.8 -45.63 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.415 HD23 ' HD1' ' A' ' 67' ' ' TYR . 18.3 tp -65.43 -29.19 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CE1' HD22 ' A' ' 52' ' ' LEU . 32.8 t80 -76.92 -60.69 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.634 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.55 -27.02 35.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -83.79 -57.81 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -56.54 -25.86 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -107.66 9.07 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -60.16 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.9 t -57.24 -29.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.79 -38.77 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.99 -19.17 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.1 m -63.62 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -96.16 -26.16 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 mtm -77.67 -31.74 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -128.6 69.5 79.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.703 0.763 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.19 27.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.57 -21.58 78.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -86.33 169.51 12.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.77 163.73 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -52.08 -45.71 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 50' ' ' VAL . 38.6 ttm180 -54.21 -28.8 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -42.07 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -53.44 -35.67 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m -72.8 -51.02 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.6 t -52.3 -44.46 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.6 mt -66.19 -40.75 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.634 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.4 mt -55.01 -53.85 50.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.43 55.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -51.94 -44.44 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.43 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -69.09 -25.7 64.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -86.53 -25.9 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.92 -30.15 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 mtm -54.38 173.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -97.81 -172.62 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.01 -35.23 61.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.38 -30.43 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.5 -25.26 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -94.97 -23.71 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' HG2' HD12 ' A' ' 69' ' ' LEU . 34.6 ttt180 -51.85 -38.9 57.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.95 -32.43 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.415 ' HD1' HD23 ' A' ' 27' ' ' LEU . 24.5 m-85 -95.96 -32.46 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -57.72 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.0 mt -62.54 -48.05 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.93 -56.33 14.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -56.89 -37.8 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -52.63 -55.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.84 -37.85 53.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.87 -30.43 62.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.05 -25.48 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.02 -43.04 8.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.6 -45.07 95.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.1 -30.53 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -74.01 -33.34 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -72.77 -37.68 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.86 -26.23 62.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.51 71.31 3.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -23.97 30.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.8 75.44 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.34 105.99 11.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -111.54 -32.92 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -113.9 28.0 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -87.37 125.28 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.64 134.59 12.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -89.15 137.7 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 134.61 56.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -132.05 2.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.92 -157.48 19.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.92 119.21 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.12 158.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -125.34 105.75 9.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.35 -27.81 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.5 p -133.99 124.26 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -62.75 160.55 35.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 157.37 60.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -100.42 104.67 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -82.73 -26.25 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.05 168.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -124.83 138.42 54.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -159.24 160.59 28.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.692 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.21 39.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.226 . . . . 0.0 112.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.458 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 1.8 mtp -107.95 90.62 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -68.65 157.49 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.16 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.02 -42.4 63.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.97 -47.57 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD23 ' HD1' ' A' ' 67' ' ' TYR . 1.9 tp -60.79 -32.5 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -74.74 -60.57 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.85 -28.74 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -80.1 -56.9 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.24 -27.56 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -104.78 9.08 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -61.22 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.89 -29.37 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -55.06 -36.79 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HB3' HD12 ' A' ' 48' ' ' ILE . 8.8 m-85 -94.89 -26.29 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 m -60.44 -29.54 69.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -99.04 -29.67 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 mtm -73.17 -31.17 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.7 71.1 82.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.66 32.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.23 -22.94 58.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -85.25 160.55 19.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.99 162.59 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.07 -40.87 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.595 ' O ' HG23 ' A' ' 50' ' ' VAL . 45.6 ttp85 -56.73 -27.74 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.88 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 36' ' ' TYR . 46.7 mm -51.8 -41.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 t -67.92 -47.79 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 46' ' ' ARG . 88.4 t -56.1 -41.0 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -74.57 -28.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.56 -46.58 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.91 -47.17 73.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.13 -45.65 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -58.63 -36.33 73.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -66.87 -22.49 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -87.84 -34.01 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -34.14 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.9 mtm -56.84 168.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -98.25 -178.87 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -62.1 -49.4 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.56 -40.39 92.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -56.1 -25.87 47.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -100.04 -24.76 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.51 ' CG ' HD23 ' A' ' 69' ' ' LEU . 63.2 ttt180 -51.89 -38.75 57.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.8 ptp -51.98 -33.21 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.407 ' HD1' HD23 ' A' ' 27' ' ' LEU . 29.2 m-85 -94.74 -33.99 12.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -62.08 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' CG ' ' A' ' 65' ' ' ARG . 4.2 mm? -56.38 -37.27 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -52.78 -37.51 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -54.08 -53.39 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.39 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.05 -41.89 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.21 -25.62 62.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -89.83 -23.9 21.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.22 -26.02 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -81.54 -34.47 31.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -61.11 -26.09 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -78.11 -47.26 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.7 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -114.79 73.41 3.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.04 17.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.217 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -96.93 81.08 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.6 m -95.89 33.91 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -111.09 44.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 tttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.878 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -117.72 55.2 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -64.83 115.77 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 110.11 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -93.55 62.48 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -88.95 136.65 32.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.89 -90.68 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.55 165.9 16.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -104.77 104.45 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.162 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.21 122.13 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t -155.67 126.24 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.11 103.51 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -140.69 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -111.0 160.58 28.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 119.4 6.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -118.94 134.69 55.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -72.19 125.12 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -84.96 128.65 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -120.75 46.11 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -131.79 160.62 66.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 147.84 63.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.488 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 7.4 mtm -81.96 95.82 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.4 168.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.56 -53.02 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.72 -41.85 70.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.4 mtt -51.97 -45.55 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.23 -31.76 72.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.35 -60.47 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.25 -26.01 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -81.66 -56.62 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -58.5 -34.04 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.67 9.05 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -68.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.44 -35.43 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.99 -35.99 48.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.514 ' HB3' HG23 ' A' ' 48' ' ' ILE . 6.9 m-85 -95.0 -25.47 16.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 m -64.4 -32.6 74.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -95.58 -26.2 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.8 mtm -79.1 -27.11 42.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -132.06 69.43 80.63 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.88 8.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.38 -23.71 66.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.39 161.81 19.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.92 161.14 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -52.04 -43.37 63.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 50' ' ' VAL . 26.6 tpt180 -55.17 -43.95 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.68 99.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 36' ' ' TYR . 38.8 mm -57.85 -46.47 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -60.35 -43.04 96.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 46' ' ' ARG . 70.4 t -64.7 -54.98 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.02 -28.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.581 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.5 mt -68.09 -47.2 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -49.68 54.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -52.04 -44.15 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -69.75 -25.42 63.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -87.44 -29.04 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -27.94 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.0 mtm -60.21 172.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -99.18 178.26 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.36 -57.13 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.49 -38.36 84.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -56.45 -25.1 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -103.59 -25.72 13.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.543 ' HG2' HD13 ' A' ' 69' ' ' LEU . 44.4 ttt180 -51.76 -39.34 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.3 ptp -51.45 -34.01 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -95.95 -29.06 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.1 m -60.78 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD13 ' HG2' ' A' ' 65' ' ' ARG . 10.4 mp -63.21 -44.13 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.01 -55.2 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -66.78 -29.3 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -66.38 -55.86 13.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.46 -37.92 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.7 mt -73.81 -38.05 64.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.27 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -89.56 -23.64 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -91.9 -26.11 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -81.45 -35.14 30.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -60.41 -26.0 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -78.13 -43.76 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.15 -27.37 67.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -120.3 72.97 20.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.661 0.743 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -38.77 7.44 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.91 67.52 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 p -80.62 -26.64 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -112.95 52.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 mttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -64.55 110.35 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -123.93 155.52 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.79 179.15 19.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -67.48 99.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t 57.5 31.46 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.63 158.52 14.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.95 125.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.7 p -86.06 110.26 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.04 82.88 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p 54.72 27.23 8.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.79 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -66.12 118.65 10.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 160.58 77.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.661 0.743 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.04 19.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -141.75 164.25 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -64.31 155.73 31.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.0 m -113.42 69.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.62 51.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 157.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.84 68.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtp -109.81 90.4 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -54.13 171.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HB1' ' HH2' ' A' ' 56' ' ' TRP . . . -53.68 -53.82 46.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -53.77 -45.44 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mtt -51.98 -46.5 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.62 -28.22 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -76.48 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.01 -25.28 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -74.58 -56.91 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -56.38 -26.05 51.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -108.5 9.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -65.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.04 -32.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -57.0 -27.16 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.632 ' HB3' HG23 ' A' ' 48' ' ' ILE . 5.7 m-85 -92.65 -29.7 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 m -61.74 -37.25 83.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -87.92 -27.86 21.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 mtm -74.55 -34.73 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -131.57 70.9 81.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -17.04 37.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.84 -20.04 51.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -88.91 153.83 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.87 159.76 18.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -52.25 -34.46 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.9 tpt180 -59.47 -34.65 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.93 -38.71 27.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' A' ' 36' ' ' TYR . 44.5 mm -51.73 -50.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.1 m -61.02 -45.77 93.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.4 t -55.68 -44.92 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -28.66 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.84 -48.46 45.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.91 82.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.62 -51.24 63.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -55.66 -40.32 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.452 ' HH2' ' HB1' ' A' ' 24' ' ' ALA . 31.8 t-105 -61.99 -26.54 68.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.77 -35.22 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -71.59 -34.42 69.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.2 mtm -52.3 165.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -173.55 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -65.66 -53.85 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.92 -36.46 83.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -58.17 -22.92 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -95.53 -25.36 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.586 ' HG2' HD23 ' A' ' 69' ' ' LEU . 14.6 ttt180 -52.51 -39.0 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.1 ptp -51.74 -32.26 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -95.91 -37.23 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -61.7 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.586 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.2 mm? -61.53 -47.49 85.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.04 -62.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.39 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -54.15 -54.86 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.14 -42.14 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.82 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.37 -47.89 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -52.76 -41.69 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -53.99 -42.09 68.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -65.61 -31.68 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -67.64 -39.93 84.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.94 -31.47 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -118.11 71.5 8.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -26.73 27.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -54.32 -35.26 62.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.3 m -127.15 177.37 6.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -109.36 43.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -84.23 152.02 24.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -113.25 161.17 17.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.74 -53.94 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -83.2 121.77 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -150.04 116.1 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.28 108.08 3.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.17 143.88 27.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -151.98 130.92 12.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t 54.24 73.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 t -129.98 -42.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.15 143.82 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.2 p -139.04 -178.67 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.81 160.74 41.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 80.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.91 -32.94 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -125.6 64.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -146.16 124.49 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -130.63 76.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -178.32 157.65 1.07 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 144.66 54.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.434 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 7.8 mtm -74.89 103.0 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.91 171.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.97 -52.26 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -53.31 -42.8 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mtt -51.95 -44.11 63.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 27' ' ' LEU . 6.4 tp -66.26 -29.97 70.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.59 -60.53 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.76 -26.43 34.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -83.03 -55.21 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -58.51 -32.06 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.21 9.07 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -67.49 -70.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.26 -30.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -66.06 -31.87 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.29 -25.85 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.0 m -62.03 -30.73 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -99.7 -28.29 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.7 mtm -74.16 -34.35 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -125.08 69.4 58.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.21 68.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.43 -46.47 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.3 152.78 7.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.41 158.19 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -52.02 -43.97 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.9 tpt180 -53.97 -27.86 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.88 -43.88 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.53 -26.8 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -78.77 -50.01 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 46' ' ' ARG . 68.1 t -55.57 -38.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.07 -34.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.6 mt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.01 -49.6 54.74 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -51.93 -44.59 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.67 -33.92 72.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -70.43 -24.85 62.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -89.51 -31.15 17.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.06 55.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.6 mtm -62.3 179.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -103.52 -170.56 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -72.13 -47.69 49.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.84 -36.3 75.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.63 -26.19 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -99.56 -25.83 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.631 ' HG2' HD12 ' A' ' 69' ' ' LEU . 38.4 ttt180 -51.92 -38.61 56.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 ptp -52.01 -32.83 35.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -95.75 -31.43 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -58.93 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.631 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.6 mt -62.57 -43.12 99.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.02 -59.63 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -60.67 -31.27 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -62.45 -58.99 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.88 62.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.02 -25.92 60.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 -25.94 59.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -95.51 -45.17 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -57.97 -45.93 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.05 -30.23 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -75.21 -39.29 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -63.69 -29.58 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.1 -37.31 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.63 69.88 8.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -29.11 24.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.5 26.9 15.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.79 -27.39 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -92.4 62.76 4.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 tptm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -65.03 105.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -122.85 81.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.15 -175.64 43.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -87.21 57.73 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -123.8 100.97 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.6 68.28 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.38 167.5 22.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.53 106.14 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.133 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.14 -30.29 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -102.77 113.09 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.33 122.91 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -123.41 148.5 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 160.61 82.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 163.35 38.61 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -144.35 105.87 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.71 -42.95 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.6 m -69.43 174.24 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.5 178.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -169.1 157.59 7.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 170.35 16.69 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtp -102.68 91.96 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' ND2' ' HG3' ' A' ' 26' ' ' MET . 1.7 p30 -58.79 -176.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.6 29.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -51.73 -35.52 43.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.427 ' HG3' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.07 -46.74 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.36 -27.91 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.48 -61.3 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.61 -25.48 38.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -85.65 -31.35 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -53.36 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.23 9.09 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.38 -34.5 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -51.93 -34.18 40.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.597 ' HB3' HD12 ' A' ' 48' ' ' ILE . 9.6 m-85 -94.94 -27.21 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -62.65 -31.02 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -97.14 -30.09 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.5 mtm -73.73 -34.1 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -126.34 70.05 69.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.15 22.79 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.35 -25.43 70.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.03 155.52 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.68 161.22 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -51.94 -39.18 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.682 ' O ' HG23 ' A' ' 50' ' ' VAL . 52.0 ttt85 -55.44 -40.49 71.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.44 70.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.062 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 36' ' ' TYR . 41.6 mm -54.34 -47.96 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -61.23 -45.48 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 46' ' ' ARG . 88.5 t -60.97 -49.74 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.25 -26.27 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.8 mt -70.78 -44.56 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.52 -48.21 71.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -51.99 -44.47 64.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -59.33 -35.87 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 47.4 t-105 -67.57 -24.56 65.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -86.69 -32.89 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 29.3 mtm -56.53 175.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -100.86 177.67 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -66.38 -32.29 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.2 -37.96 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.67 -24.39 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -94.18 -24.09 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.683 ' HG2' HD23 ' A' ' 69' ' ' LEU . 24.6 ttt180 -51.88 -39.04 58.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.88 -31.91 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.97 -35.7 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -52.76 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.683 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.4 mm? -70.11 -41.15 74.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.89 -59.88 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.32 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -61.02 -58.5 8.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.54 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.9 -25.77 60.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.56 -25.45 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -99.26 -35.38 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.79 -42.01 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -53.85 -33.17 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -70.26 -29.89 66.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -80.62 -29.68 36.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.29 -28.62 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -119.17 71.08 11.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -18.68 36.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.83 56.42 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 p -132.93 166.7 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 m0 56.08 52.18 10.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 p -90.54 128.02 36.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -172.91 168.63 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.56 -39.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -83.17 137.82 33.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -134.65 60.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.8 59.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.49 89.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.427 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 m -105.29 -33.2 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 m -68.25 135.32 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 p -116.86 -47.48 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.48 131.33 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -116.79 133.6 55.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p -174.05 160.53 2.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.45 18.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -161.46 122.3 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -152.33 160.63 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -61.74 95.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.19 159.94 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 63.16 160.6 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.833 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.1 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.1 ptm -69.6 108.74 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -54.6 173.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.3 84.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -56.61 -44.49 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 mtt -51.97 -47.16 64.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 27' ' ' LEU . 7.7 tp -63.69 -28.58 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -77.12 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.51 -25.58 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -82.47 -54.34 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.95 -35.4 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.936 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.39 9.04 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -66.46 -68.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.41 -28.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.87 -34.4 77.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -94.91 -26.32 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 m -63.75 -28.65 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -98.31 -26.14 14.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -78.01 -36.65 48.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.47 68.53 40.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.81 37.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.622 2.215 . . . . 0.0 112.351 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.95 -19.76 52.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' NZ ' HD11 ' A' ' 51' ' ' ILE . 55.7 mttt -85.58 156.98 20.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.23 159.1 16.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -52.12 -37.19 53.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 50' ' ' VAL . 13.9 tpt180 -59.8 -32.81 70.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.09 -40.02 24.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.79 -41.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -68.47 -51.25 45.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 46' ' ' ARG . 86.8 t -52.11 -41.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.476 HD11 ' NZ ' ' A' ' 43' ' ' LYS . 70.3 mt -73.39 -34.46 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.0 mt -64.0 -46.95 82.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.09 -50.2 52.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -52.02 -42.26 62.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 -62.74 -34.78 77.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -71.14 -27.8 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -86.52 -26.57 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -81.32 -30.73 33.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.8 mtm -57.14 174.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -172.64 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.76 -39.91 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -56.93 -24.68 54.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -96.79 -25.03 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -51.85 -38.89 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.81 -32.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.93 -32.56 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m -56.04 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -55.29 -62.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.5 -27.13 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -64.2 -59.92 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.85 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.2 mt -73.84 -27.56 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -28.79 69.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.95 -38.33 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.11 -21.55 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -82.74 -21.76 34.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -80.95 -44.26 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -62.66 -31.89 72.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.07 -37.21 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.87 73.79 12.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.34 37.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -103.26 28.28 6.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.95 -173.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -62.12 -42.82 99.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.8 48.23 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 p -128.6 120.99 27.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.72 175.12 20.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -143.41 110.9 5.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -136.62 141.01 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.6 41.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.33 117.01 4.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -139.75 131.4 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.085 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.7 131.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -123.22 -53.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 149.91 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -105.06 109.44 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -179.3 70.06 0.18 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.692 0.758 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 127.07 14.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.3 105.64 8.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.96 163.39 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.42 -31.31 16.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -133.14 149.53 52.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 160.66 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 108.23 2.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.567 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 14.7 ptm -69.26 107.24 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.78 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -51.85 -45.28 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 mtt -51.89 -45.84 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD21 ' HG2' ' A' ' 70' ' ' GLU . 8.2 tp -66.49 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -79.52 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.9 -25.18 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -80.45 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.13 -24.69 68.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.91 9.09 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -60.48 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.86 -31.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -51.96 -36.42 49.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' HB3' HG23 ' A' ' 48' ' ' ILE . 8.9 m-85 -94.94 -26.67 16.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 m -60.87 -29.2 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -100.59 -30.32 11.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.4 mtm -73.14 -29.41 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -131.61 71.54 80.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.715 0.769 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.23 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.06 -20.28 72.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.49 158.43 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -96.34 164.1 12.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -52.53 -33.28 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.51 ' O ' HG23 ' A' ' 50' ' ' VAL . 36.9 ttm-85 -59.72 -32.13 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.83 -39.73 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.558 HG23 ' HB3' ' A' ' 36' ' ' TYR . 41.1 mm -54.8 -46.17 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -61.26 -47.02 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 46' ' ' ARG . 94.5 t -57.73 -52.0 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.53 -28.92 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.69 -40.72 76.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.02 83.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.9 -40.7 61.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -61.55 -33.68 74.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -91.46 -31.29 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -27.76 53.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.0 mtm -61.07 177.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -104.29 -174.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.56 -53.46 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.85 -39.33 94.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.44 -25.14 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -102.08 -26.03 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HG2' HD12 ' A' ' 69' ' ' LEU . 22.8 ttt-85 -52.08 -38.79 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -51.89 -32.75 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -32.55 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 m -55.52 -63.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.2 mt -61.18 -44.1 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.551 ' HG2' HD21 ' A' ' 27' ' ' LEU . 44.2 tp10 -54.05 -61.08 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -54.02 -36.27 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.75 -58.02 8.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.87 -38.49 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 74' ' ' LEU . 25.9 mt -74.42 -25.73 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.31 -25.13 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.27 -44.1 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.89 -26.78 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.83 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 -41.93 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.89 -26.05 67.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -115.7 73.45 4.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.09 37.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.232 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.28 -26.43 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.9 m -84.12 60.41 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -116.64 84.3 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.5 mttm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -90.91 159.96 15.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -116.03 33.28 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 178.5 41.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -88.94 91.56 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.43 145.95 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.24 -91.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.36 -164.54 24.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -146.72 157.78 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.25 142.79 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.7 p -100.61 45.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.29 169.27 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.45 84.76 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 160.52 65.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -17.38 37.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.372 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 t30 56.44 34.37 24.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -92.38 -31.38 15.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 t 61.37 48.33 6.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -89.41 -19.2 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 63.04 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 150.3 67.45 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mtp -79.49 94.37 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -73.78 -176.34 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -56.32 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.7 -40.71 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.46 -32.85 74.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -35.47 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -71.77 -58.19 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -57.35 -25.69 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.56 9.06 33.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.2 -73.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.6 -29.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -62.83 -35.08 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.92 -26.3 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 m -61.2 -31.5 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -96.03 -27.37 15.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -75.75 -31.12 59.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -131.21 69.72 82.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.06 25.49 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.62 -24.7 71.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -81.62 158.78 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -95.89 162.5 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -53.32 -38.68 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.5 ttm-85 -58.1 -26.6 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.94 -41.93 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mm -51.7 -30.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 -54.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.4 t -52.61 -34.99 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -76.31 -37.64 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.17 -47.91 78.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.13 -45.2 57.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.542 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -51.94 -51.97 53.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.68 -42.2 67.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.495 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 36.6 t-105 -60.63 -24.14 65.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -84.47 -33.85 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -33.5 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.495 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 44.0 mtm -57.97 166.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -93.04 -172.68 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.84 -50.84 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.77 -36.0 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.48 -25.75 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -98.98 -25.72 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.615 ' HG2' HD12 ' A' ' 69' ' ' LEU . 44.5 ttt180 -52.1 -38.66 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.94 -32.73 34.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.9 -30.99 13.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -59.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.615 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.0 mt -62.19 -43.89 97.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -53.12 -58.15 8.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.05 96.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -54.86 -31.4 59.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.47 -28.96 46.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.94 80.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.41 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -90.4 -22.54 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.14 -31.24 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.82 -37.16 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -56.6 -29.33 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -79.12 -35.38 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.98 -27.32 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.14 75.91 74.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.744 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.38 48.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -137.64 176.64 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -96.09 59.74 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -103.22 148.01 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -100.46 -179.89 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.22 122.55 4.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -123.91 156.88 35.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -73.01 150.53 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.73 -65.02 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 136.48 50.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -147.63 127.6 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.7 128.64 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -53.38 165.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.89 137.3 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -133.04 156.68 46.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.98 160.48 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 121.72 8.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -158.54 151.85 22.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.0 142.95 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -173.94 161.98 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -75.56 107.87 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -51.75 156.88 2.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 ptm -69.48 106.99 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.54 177.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.51 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.44 -42.29 96.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.26 64.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.37 -26.74 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -83.64 -58.04 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -56.83 -24.02 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -82.37 -56.51 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -59.3 -33.31 70.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.24 9.16 42.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -61.47 -70.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.42 -29.71 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.72 -37.81 52.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.06 -21.78 18.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.3 m -61.49 -35.4 77.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -95.59 -30.4 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.9 mtm -72.33 -29.38 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -132.21 72.19 78.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.13 8.18 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -22.49 65.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -83.82 167.06 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.68 159.87 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.99 -39.49 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 50' ' ' VAL . 18.6 tpp180 -59.44 -35.98 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.45 -41.38 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -52.08 -50.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 m -60.3 -43.05 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.4 t -61.88 -48.63 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.0 mt -63.12 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 29' ' ' ALA . 24.4 mt -68.95 -47.51 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.03 59.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -51.61 -41.35 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -63.13 -32.36 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -71.92 -25.1 61.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -85.96 -27.25 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -80.53 -30.39 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.6 mtm -58.02 175.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -100.94 -176.29 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -71.83 -27.23 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -86.3 -39.21 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.04 -25.98 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -95.74 -25.29 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.96 -38.55 56.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 ptp -52.01 -32.38 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -95.77 -37.96 10.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -57.66 9.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -39.15 93.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 74' ' ' LEU . 7.5 tp10 -59.12 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.3 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.55 -39.3 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.49 -26.14 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 70' ' ' GLU . 4.0 mm? -67.93 -56.19 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.95 -25.75 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -89.88 -21.24 22.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -89.95 -17.62 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.44 -26.06 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -76.81 -31.57 57.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -74.35 -28.99 61.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.42 -34.21 48.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -120.88 71.17 19.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.31 18.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 61.29 41.07 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.98 178.76 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.6 m0 54.82 32.12 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -89.63 150.66 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -92.78 -38.86 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.34 -151.01 24.43 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -93.28 158.29 15.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.819 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -88.98 124.86 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.24 96.19 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.98 -106.44 2.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -121.2 118.24 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.148 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.9 m -110.55 -26.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -74.3 127.41 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.06 142.12 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 p -70.21 87.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 m -120.77 70.59 18.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -46.17 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.401 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.82 132.46 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -127.8 171.96 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.5 m -68.74 173.24 5.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -101.37 122.99 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 157.55 76.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 89.76 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 ptm -69.79 108.48 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.16 -174.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 -55.78 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -54.23 -43.16 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -44.12 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD21 ' HG2' ' A' ' 70' ' ' GLU . 14.0 tp -63.48 -33.16 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -70.59 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.702 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.51 -28.82 47.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -78.49 -32.29 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -72.38 -50.47 26.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -89.39 8.95 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -51.98 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG13 ' OE2' ' A' ' 35' ' ' GLU . 13.0 p -70.51 -32.36 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' HG13 ' A' ' 34' ' ' VAL . 17.3 mm-40 -52.02 -34.27 42.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -94.99 -25.75 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.0 m -61.63 -28.3 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -99.08 -26.54 14.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.1 mtm -76.54 -34.22 58.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -129.59 72.04 82.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.83 -25.37 52.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -83.97 154.06 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.68 159.66 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -52.01 -46.82 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.5 tpt180 -52.88 -29.14 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.3 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.5 mm -51.99 -39.77 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -66.44 -46.05 77.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 46' ' ' ARG . 91.1 t -57.5 -34.69 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.4 mt -76.21 -28.76 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.7 mt -67.82 -48.16 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.05 77.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.84 -38.79 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -68.1 -36.26 79.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -70.01 -25.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -81.55 -25.61 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -32.16 22.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -52.2 163.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -95.14 176.17 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.43 -62.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -56.35 -30.53 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.67 -19.05 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -98.37 -26.41 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 69' ' ' LEU . 7.6 ttt180 -54.37 -41.13 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -50.64 -33.87 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.06 -31.1 13.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 m -59.36 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 65' ' ' ARG . 9.7 mp -62.63 -48.79 77.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.575 ' HG2' HD21 ' A' ' 27' ' ' LEU . 8.9 tp10 -51.82 -56.55 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.81 -25.18 66.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -73.48 -29.01 62.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.69 -35.12 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 70' ' ' GLU . 9.0 mp -66.59 -37.58 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.26 -23.6 19.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.64 -28.22 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -80.86 -29.3 35.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -66.28 -24.54 66.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -84.06 -33.18 24.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.67 -22.17 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -113.73 73.7 2.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.21 37.61 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.13 51.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.8 m -148.06 179.31 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.8 m0 54.93 43.9 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -155.23 166.8 32.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -91.31 128.77 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.18 167.81 40.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 p -127.55 119.9 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 t -79.0 153.0 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.24 -127.77 8.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.3 131.92 1.63 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -135.6 134.25 39.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 138.46 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -139.68 164.25 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.62 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -106.97 146.3 31.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -116.94 73.01 6.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 179.29 3.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -110.76 129.94 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -122.1 -43.29 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 m -58.83 178.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -81.43 143.24 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -55.37 160.59 3.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.08 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.559 ' HE2' ' O ' ' A' ' 22' ' ' MET . 2.1 ptm -69.51 90.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -58.19 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 68' ' ' THR . . . -60.87 -53.67 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -53.21 -42.54 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -61.78 -30.61 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -76.02 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.93 61.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -72.96 -58.36 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -59.49 -26.4 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -102.48 9.1 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ttp85 -66.47 -66.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 p -57.36 -31.54 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.82 -29.93 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.656 ' HB3' HG23 ' A' ' 48' ' ' ILE . 5.8 m-85 -92.84 -26.12 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -62.8 -39.9 95.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.19 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.39 -28.58 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -73.08 -37.21 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.59 70.55 82.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.84 24.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.407 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.3 64.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -80.18 153.79 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.08 163.2 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -55.6 -44.58 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.607 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.9 ttt-85 -53.98 -28.09 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.29 -42.52 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 36' ' ' TYR . 44.9 mm -55.46 -40.12 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 46' ' ' ARG . 90.6 t -57.79 -50.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.01 -30.58 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.67 -47.46 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.8 86.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -51.97 -44.6 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -64.87 -33.29 75.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -73.4 -25.55 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -85.75 -25.9 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -82.27 -27.98 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.9 mtm -58.32 175.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -99.12 -173.04 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -71.7 -42.57 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -35.85 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.37 -25.33 61.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -99.32 -25.12 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.637 ' HG2' HD12 ' A' ' 69' ' ' LEU . 53.4 ttt180 -51.9 -39.06 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.5 ptp -51.82 -32.5 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -95.74 -33.87 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.446 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 1.3 m -55.91 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.9 mt -63.38 -42.79 98.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.64 -61.04 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.73 -38.04 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.13 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.73 -40.19 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.7 mt -73.03 -25.43 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.17 -25.36 55.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.087 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.58 -43.03 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -53.31 -39.34 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -57.92 -27.73 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -78.17 -36.65 47.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -36.32 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.38 -31.29 68.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -122.19 72.65 36.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -27.0 26.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.89 85.19 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.47 171.41 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.96 -1.26 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -155.39 125.72 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -155.35 -178.39 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.56 -157.12 43.7 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -133.46 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 p -121.83 170.19 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 -154.93 21.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.2 102.96 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.446 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -98.51 35.71 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.82 111.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -164.64 155.97 15.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.63 -42.54 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -57.57 112.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 160.58 3.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.14 44.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -56.84 -56.85 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -55.77 145.93 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.29 145.92 52.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -118.16 147.95 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 63.14 160.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.2 68.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.447 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 57.0 mmm -72.76 90.84 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.55 169.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.39 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.17 -41.03 64.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 mtt -52.0 -45.94 64.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.55 -34.88 74.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -71.16 -61.54 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -52.24 -29.41 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -80.98 -57.05 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.62 -26.12 54.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.98 9.0 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -62.21 -72.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -54.71 -29.17 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.69 -38.52 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.535 ' HB3' HD12 ' A' ' 48' ' ' ILE . 10.7 m-85 -94.85 -26.34 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -63.0 -29.56 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -98.72 -26.51 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -77.04 -35.97 56.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.73 68.46 42.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.756 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.13 37.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.19 -19.91 65.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -92.93 177.06 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -116.8 168.49 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -52.1 -39.44 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 50' ' ' VAL . 67.9 ttt180 -56.08 -31.31 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.85 12.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 36' ' ' TYR . 47.5 mm -51.85 -45.06 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 m -62.37 -44.06 97.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 46' ' ' ARG . 87.3 t -61.4 -49.46 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.45 -34.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.8 mt -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.19 -47.23 61.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.525 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -52.46 -47.24 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -57.35 -38.66 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.06 -26.84 68.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -81.75 -32.88 31.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -74.25 -35.05 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.6 mtm -54.35 166.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -95.1 -172.32 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.8 p30 -67.29 -51.36 53.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.75 -36.88 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.45 -26.16 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -101.82 -26.05 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HG2' HD12 ' A' ' 69' ' ' LEU . 47.5 ttt180 -52.04 -38.35 56.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.7 ptp -52.03 -34.44 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -93.86 -32.85 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 m -56.07 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.3 mt -60.75 -45.17 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -52.45 -59.41 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -54.18 -37.06 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -58.05 -58.11 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.12 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.4 mt -73.51 -26.3 60.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.02 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.09 -23.2 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.685 ' O ' HD13 ' A' ' 81' ' ' LEU . 69.6 tt0 -79.85 -24.6 41.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -85.07 -31.83 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -77.78 -29.62 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -77.94 -33.45 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 77' ' ' GLU . 4.7 mp -66.38 -26.17 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -118.91 72.36 11.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -36.8 10.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.96 40.54 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.4 t -157.17 153.93 28.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -1.04 42.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -81.39 149.73 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -119.31 -177.93 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.29 -132.48 11.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -153.5 161.16 42.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -117.54 108.96 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.67 -176.19 43.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.54 -54.7 0.66 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.3 m -64.97 -32.45 74.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.92 134.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 p -77.69 89.3 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.64 124.14 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.8 p -69.87 101.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -109.26 160.55 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.715 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -96.88 122.74 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -81.13 -31.77 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.6 m -60.73 151.88 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 149.9 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -51.6 156.86 2.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.5 mtm -69.59 101.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.546 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.4 p-10 -59.19 -176.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -57.39 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.7 -41.81 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.546 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.87 -44.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' LEU . 6.7 tp -63.11 -29.29 70.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -76.98 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -51.62 -30.6 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.73 -54.01 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -57.21 -28.71 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -103.23 9.05 38.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -66.75 -72.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.03 -34.82 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -57.09 -35.23 69.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.67 ' HB3' HD12 ' A' ' 48' ' ' ILE . 7.3 m-85 -94.92 -26.25 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -59.78 -30.29 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -97.51 -30.68 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.83 -27.64 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -133.28 71.97 76.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.97 -23.74 71.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -84.97 163.16 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.32 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -38.9 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' ' 50' ' ' VAL . 56.6 ttp180 -57.87 -31.11 66.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.46 -43.13 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.67 HD12 ' HB3' ' A' ' 36' ' ' TYR . 44.9 mm -55.46 -44.44 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -60.45 -41.79 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 46' ' ' ARG . 68.2 t -65.77 -55.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.36 -29.75 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 29' ' ' ALA . 17.5 mt -64.7 -48.6 74.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.1 -47.89 53.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.78 -45.34 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -61.5 -40.74 95.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -62.7 -21.65 65.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -82.16 -32.93 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -70.82 -40.89 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.4 mtm -53.2 163.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 174.61 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.09 -35.96 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -75.35 -39.33 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.35 -24.22 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -93.95 -24.02 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.502 ' HG2' HD23 ' A' ' 69' ' ' LEU . 24.3 ttt-85 -51.84 -38.76 57.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.6 ptp -52.0 -32.0 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -95.86 -37.71 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -62.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.5 mm? -62.64 -46.52 87.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -51.96 -58.92 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.23 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.88 -56.82 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.03 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.57 -28.38 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -26.23 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -95.13 -24.91 16.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -85.42 -24.37 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -86.73 -27.57 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -76.95 -25.71 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -20.77 47.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.3 -29.36 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -117.9 71.01 7.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.76 29.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t0 62.97 37.11 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.4 m -100.17 90.91 4.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -113.33 69.87 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.8 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -162.86 114.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -96.24 142.05 28.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.62 -93.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -57.55 156.58 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -83.45 -175.91 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.99 80.75 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.69 79.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -77.7 108.6 11.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.593 HG13 ' H ' ' A' ' 12' ' ' ALA . 7.6 p -83.25 -26.14 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 p 53.76 28.48 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.593 ' H ' HG13 ' A' ' 10' ' ' VAL . . . -55.87 165.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 p -97.46 173.6 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -124.37 160.57 52.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.38 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.224 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -64.0 120.08 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -117.59 115.08 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -116.74 27.42 9.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -107.97 173.37 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.0 160.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.78 3.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -70.65 105.53 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -54.2 173.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.14 79.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -61.69 -41.39 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -55.18 -50.55 69.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.495 HD21 ' HG2' ' A' ' 70' ' ' GLU . 6.4 tp -58.02 -25.95 61.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -82.39 -58.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -60.45 -19.28 55.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -87.74 -32.36 19.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -81.83 -43.86 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.23 9.04 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.12 -62.11 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.64 -30.2 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.63 -37.0 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HB3' HD12 ' A' ' 48' ' ' ILE . 9.2 m-85 -95.12 -21.16 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -62.01 -36.27 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.76 -27.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.5 mtm -75.19 -27.56 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -131.26 69.49 82.11 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -18.73 36.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.39 -21.55 58.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -82.51 175.7 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 161.38 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -52.4 -44.4 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.6 tpm_? -58.68 -27.24 64.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.3 -39.25 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 36' ' ' TYR . 45.9 mm -58.68 -44.04 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 m -63.84 -41.04 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 46' ' ' ARG . 94.7 t -64.78 -52.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.23 -28.96 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 29' ' ' ALA . 14.8 mt -67.79 -48.14 67.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.47 -49.12 53.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -51.81 -43.54 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -60.27 -35.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -68.65 -25.04 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.19 -31.14 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -32.5 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.26 173.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -100.08 -172.92 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -70.41 -45.46 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -36.58 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.44 -25.34 59.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -97.45 -25.21 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' HG2' HD12 ' A' ' 69' ' ' LEU . 15.8 ttt-85 -52.07 -38.9 58.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.1 ptp -51.8 -32.68 32.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.9 -33.88 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 m -53.83 -63.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.3 mt -61.46 -45.61 93.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.495 ' HG2' HD21 ' A' ' 27' ' ' LEU . 8.2 tp10 -51.99 -60.23 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -26.38 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.74 -58.96 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -39.95 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 mt -74.16 -25.87 59.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.15 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -97.72 -41.54 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -56.05 -44.6 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -52.01 -31.35 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -75.11 -43.11 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.68 -39.32 93.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.51 -26.14 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -119.75 69.92 13.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.91 32.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.16 -45.98 89.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 p -155.12 118.45 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -1.16 42.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -120.42 36.75 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -61.84 109.45 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.09 68.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -97.58 152.25 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -95.09 164.5 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.18 79.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.66 144.85 10.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -152.41 153.94 34.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.76 -178.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -93.38 115.29 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.46 127.61 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.02 70.86 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -175.38 68.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 82.79 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -156.6 149.51 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 tttp 58.4 40.06 24.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -149.92 135.51 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -118.94 99.67 6.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -110.2 160.58 27.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.708 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.93 20.12 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ptp -107.12 93.61 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -169.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' ' 68' ' ' THR . . . -61.4 -49.11 78.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.49 -41.32 76.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.2 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.44 -35.09 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.08 -62.07 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.08 -28.51 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.41 -58.11 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -57.69 -25.97 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.54 9.03 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -61.82 -64.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.08 -34.19 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -57.79 -29.37 64.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.644 ' HB3' HG23 ' A' ' 48' ' ' ILE . 6.2 m-85 -93.35 -29.57 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -61.53 -39.6 91.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -85.15 -28.84 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtm -73.13 -35.67 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -129.75 70.99 82.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.709 0.766 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.26 24.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.83 -25.22 76.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -87.27 157.26 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -88.13 160.34 17.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.41 -40.26 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 50' ' ' VAL . 11.5 tpp85 -57.4 -32.13 66.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.66 -41.38 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' HB3' ' A' ' 36' ' ' TYR . 50.4 mm -51.79 -48.05 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -48.79 78.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 46' ' ' ARG . 89.8 t -54.36 -49.3 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.91 -26.04 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.0 -44.0 61.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.99 -44.32 92.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.87 -50.5 60.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -59.52 -33.43 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -72.08 -25.54 61.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -88.12 -30.28 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -28.18 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -60.52 176.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.51 -172.53 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.41 -50.8 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.6 -38.1 86.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -55.74 -26.06 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -98.95 -25.55 14.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.509 ' HG2' HD23 ' A' ' 69' ' ' LEU . 55.2 ttt180 -51.9 -38.78 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.97 -32.18 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -95.86 -36.86 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.4 mm? -70.23 -47.85 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.17 -57.42 9.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.68 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -59.96 -57.55 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.94 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.92 -25.86 61.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.1 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -97.25 -42.75 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -56.26 -45.97 79.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -53.33 -28.56 29.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -67.73 -33.69 75.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -74.6 -34.01 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.48 -54.99 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.08 74.38 3.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.6 38.75 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.11 148.17 50.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -1.2 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 p -89.91 111.7 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -104.94 152.84 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.51 132.19 4.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -150.22 174.65 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -135.45 177.75 7.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.05 -169.86 40.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.08 -117.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -78.98 102.11 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.68 130.07 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -132.76 147.95 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 170.79 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -107.24 -53.63 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.65 160.58 81.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.61 23.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.29 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.63 139.85 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -100.78 58.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -121.56 148.71 44.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.8 104.69 13.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.37 160.62 25.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.06 4.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.213 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.5 mtp -77.78 97.8 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.417 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 1.1 p30 -57.33 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -55.75 28.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.95 -45.76 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.417 ' HG3' ' ND2' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -51.76 -48.13 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.5 -25.88 68.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -80.44 -60.57 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.91 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -73.61 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -59.93 -21.46 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -109.07 9.13 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -69.03 -45.94 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -72.08 -30.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -51.92 -37.6 53.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.417 ' HB2' HG23 ' A' ' 48' ' ' ILE . 54.4 m-85 -94.87 -21.06 18.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -62.27 -29.09 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -103.96 -28.43 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.51 -26.15 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.86 69.7 79.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.34 -19.99 63.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -89.77 156.74 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.85 153.73 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -52.69 -34.11 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -65.67 -33.82 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.69 -38.02 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 36' ' ' TYR . 44.5 mm -51.25 -52.28 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 m -53.5 -44.13 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.3 -36.52 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.77 -39.94 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 48' ' ' ILE . 4.2 mm? -54.22 -50.64 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.25 -48.51 47.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.72 -42.04 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -65.55 -39.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -64.72 -22.03 66.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -81.49 -29.96 33.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -31.99 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -52.13 154.17 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 179.31 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.31 -30.38 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.3 -37.67 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -58.31 -22.99 55.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -95.97 -24.42 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HG2' HD12 ' A' ' 69' ' ' LEU . 31.8 ttt180 -52.0 -39.04 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.8 -32.55 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -29.98 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.56 -64.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.2 mt -62.14 -42.45 99.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -58.42 -62.18 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.49 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -64.27 -53.06 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.05 71.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.52 -49.39 26.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.08 -30.98 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.13 -30.26 15.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.77 -28.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -81.33 -23.76 37.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -78.39 -38.4 41.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -21.05 66.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -91.05 -34.2 15.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.13 68.37 9.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -31.69 19.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -76.91 76.81 3.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 m -118.43 167.76 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -65.78 -30.83 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 tttt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 61.65 47.44 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -141.99 110.15 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 -65.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.555 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -106.22 111.84 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -88.6 110.47 20.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.16 99.93 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.18 43.0 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -70.04 173.28 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.87 150.83 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -80.08 -175.56 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.67 55.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -79.73 87.0 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -167.7 72.14 0.94 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 96.59 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -118.64 163.84 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -78.93 -47.32 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 t -62.33 155.13 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -62.07 179.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -123.36 157.55 61.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.632 2.222 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.48 100.22 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.62 -175.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.1 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.31 -41.7 80.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -44.74 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD23 ' HD1' ' A' ' 67' ' ' TYR . 8.1 tp -60.98 -31.37 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -75.4 -60.68 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.06 -28.75 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -78.46 -57.02 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -58.04 -26.11 62.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.04 8.98 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -67.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.57 -31.05 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -52.49 -36.59 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.95 -26.1 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 m -60.2 -30.23 69.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -95.87 -28.01 14.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.3 mtm -75.45 -29.53 59.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -132.53 70.28 79.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.689 0.757 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.32 28.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.4 64.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.45 157.62 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.325 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.76 160.01 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -52.35 -43.68 64.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 50' ' ' VAL . 13.6 tpp180 -55.28 -30.63 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.55 -44.25 16.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -51.87 -46.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -43.45 97.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 46' ' ' ARG . 57.4 t -60.09 -41.09 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.92 -28.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.0 mt -68.3 -47.96 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.61 63.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.94 -42.88 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -63.09 -34.55 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -69.01 -25.77 64.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -81.01 -25.98 36.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -77.15 -35.41 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.1 mtm -55.79 173.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -103.41 -178.61 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -66.08 -35.16 79.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.75 -40.14 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -57.82 -25.55 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -96.51 -24.57 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.613 ' HG2' HD12 ' A' ' 69' ' ' LEU . 41.1 ttt180 -52.05 -38.68 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.2 ptp -51.97 -32.54 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HD1' HD23 ' A' ' 27' ' ' LEU . 23.5 m-85 -95.91 -33.23 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -56.75 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.4 mt -63.37 -43.62 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -54.07 -58.58 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.56 67.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -62.96 -58.99 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.82 -39.79 62.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -74.3 -25.97 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.22 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.62 -29.62 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.06 -24.63 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.23 -24.53 54.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -76.61 -43.82 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -19.45 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.9 -33.21 24.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -124.57 70.88 57.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.636 0.732 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.97 31.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -98.09 74.53 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.6 t -107.64 -58.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -1.11 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.7 mttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -137.93 148.38 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -76.0 134.26 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 117.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.83 129.13 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -77.43 157.79 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.0 48.28 0.95 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.82 -96.22 2.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -137.21 163.96 29.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.157 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.46 132.11 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -102.6 73.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.75 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 p -96.92 124.63 40.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.76 160.64 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.892 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 121.48 8.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.24 123.63 29.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -91.65 127.94 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -120.59 159.76 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -118.31 107.19 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -177.67 157.56 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.42 17.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.2 ptm -115.47 103.62 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -60.44 -175.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.48 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -56.26 -44.49 79.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtt -51.96 -42.83 63.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 67' ' ' TYR . 17.2 tp -67.66 -30.56 70.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.0 -62.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -53.71 -35.73 61.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -70.16 -58.32 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -57.91 -26.21 61.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.66 9.01 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -68.31 -71.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -54.56 -30.53 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -63.68 -33.02 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -94.88 -26.86 15.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -61.47 -33.35 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.52 -28.29 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtm -73.39 -36.48 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.38 69.98 53.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.6 29.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.87 -24.01 68.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -86.75 159.24 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -92.59 159.78 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -53.79 -28.77 36.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 50' ' ' VAL . 6.6 tpt180 -66.48 -31.9 72.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.54 -35.79 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.83 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -48.01 83.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 46' ' ' ARG . 66.1 t -53.12 -45.55 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.16 -33.21 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 29' ' ' ALA . 19.1 mt -64.19 -50.46 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.23 -48.83 52.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.95 -44.63 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -36.17 79.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.419 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 43.6 t-105 -68.61 -25.79 65.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -85.9 -31.06 22.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -31.28 42.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 21.8 mtm -55.48 174.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -99.85 -170.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.81 -49.63 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -67.78 -35.47 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.01 -23.81 62.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -103.53 -24.73 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -51.78 -39.12 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.7 ptp -51.5 -35.41 40.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.538 ' HA ' HD23 ' A' ' 27' ' ' LEU . 17.7 m-85 -93.81 -27.35 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -58.45 -65.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.9 -45.89 87.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -51.98 -57.4 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -30.35 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -61.15 -56.37 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -34.21 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.09 -40.72 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.11 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -85.04 -22.3 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.504 ' O ' HD23 ' A' ' 81' ' ' LEU . 6.2 tt0 -90.34 -21.51 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -81.81 -25.44 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -75.5 -31.18 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -19.03 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 77' ' ' GLU . 2.1 mm? -74.22 -37.39 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -138.92 73.39 39.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.11 24.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -55.45 -29.37 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 m -69.1 -42.78 75.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -104.88 67.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -114.45 121.99 45.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -127.9 158.38 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.49 114.84 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -130.3 -74.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 p -127.57 128.53 45.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.78 78.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 -38.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 p -94.72 85.18 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.88 105.41 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -82.61 115.54 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.59 92.0 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -55.06 -32.88 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 160.3 83.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.654 0.74 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.99 52.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -84.13 -27.11 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -81.46 93.45 6.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -150.27 170.79 18.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -75.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.97 160.57 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -175.94 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.47 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 7.3 mtp -71.77 90.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -66.18 162.47 19.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.6 -40.9 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.1 -45.9 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.76 -28.37 68.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.09 -59.28 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.624 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -53.56 -29.81 38.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -80.94 -56.49 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.08 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -105.08 9.05 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.06 -71.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.37 -30.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.57 -35.86 79.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.726 ' HB3' HD12 ' A' ' 48' ' ' ILE . 7.2 m-85 -94.89 -26.68 16.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -31.02 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -97.81 -30.51 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtm -73.19 -26.75 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' ILE . 50.2 m-85 -133.65 71.64 74.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.05 -22.87 44.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.79 162.89 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.22 168.19 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -51.93 -39.03 58.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.604 ' O ' HG23 ' A' ' 50' ' ' VAL . 37.1 ttp180 -52.68 -34.36 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.51 -43.99 16.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.726 HD12 ' HB3' ' A' ' 36' ' ' TYR . 45.2 mm -55.53 -47.67 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 m -58.85 -43.57 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 46' ' ' ARG . 97.7 t -65.24 -56.44 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.9 mt -54.92 -28.88 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.624 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.5 mt -67.89 -47.51 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.11 -49.59 49.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.8 -45.34 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -60.48 -35.8 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -67.94 -20.46 65.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -88.39 -31.28 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -35.55 56.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 mtm -52.73 163.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -94.79 169.51 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -53.31 -44.78 68.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.16 -40.65 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.91 -25.78 61.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -99.17 -26.19 14.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' CG ' HD12 ' A' ' 69' ' ' LEU . 37.5 ttt-85 -52.02 -38.53 57.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.5 ptp -52.04 -32.74 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -95.92 -30.09 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.26 -63.66 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD23 ' HE2' ' A' ' 72' ' ' LYS . 10.1 mt -63.22 -39.7 95.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -60.01 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -59.77 -27.89 66.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HE2' HD23 ' A' ' 69' ' ' LEU . 24.5 ttpt -62.81 -56.56 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.63 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.8 mt -73.95 -25.51 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.04 -28.75 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -101.76 -32.86 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.15 -23.4 67.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -78.61 -15.67 58.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -87.74 -49.31 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -57.39 -28.55 63.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -75.12 -48.42 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -128.16 70.61 78.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.2 37.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -110.54 55.1 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 p -76.11 178.7 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -64.44 -42.73 95.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 tptp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.59 -60.5 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -52.41 -43.88 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.3 mtp -51.8 -45.63 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.415 HD23 ' HD1' ' A' ' 67' ' ' TYR . 18.3 tp -65.43 -29.19 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CE1' HD22 ' A' ' 52' ' ' LEU . 32.8 t80 -76.92 -60.69 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.634 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.55 -27.02 35.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -83.79 -57.81 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -56.54 -25.86 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -107.66 9.07 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -60.16 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.9 t -57.24 -29.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.79 -38.77 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.99 -19.17 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.1 m -63.62 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -96.16 -26.16 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 mtm -77.67 -31.74 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -128.6 69.5 79.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.703 0.763 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.19 27.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.57 -21.58 78.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -86.33 169.51 12.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.77 163.73 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -52.08 -45.71 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 50' ' ' VAL . 38.6 ttm180 -54.21 -28.8 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -42.07 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -53.44 -35.67 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m -72.8 -51.02 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.6 t -52.3 -44.46 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.6 mt -66.19 -40.75 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.634 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.4 mt -55.01 -53.85 50.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.43 55.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -51.94 -44.44 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.43 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -69.09 -25.7 64.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -86.53 -25.9 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.92 -30.15 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 mtm -54.38 173.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -97.81 -172.62 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.01 -35.23 61.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.38 -30.43 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.5 -25.26 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -94.97 -23.71 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.491 ' HG2' HD12 ' A' ' 69' ' ' LEU . 34.6 ttt180 -51.85 -38.9 57.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.95 -32.43 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.415 ' HD1' HD23 ' A' ' 27' ' ' LEU . 24.5 m-85 -95.96 -32.46 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -57.72 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.0 mt -62.54 -48.05 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.93 -56.33 14.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.89 -37.8 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.829 0.347 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.16 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.02 -42.4 63.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.97 -47.57 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD23 ' HD1' ' A' ' 67' ' ' TYR . 1.9 tp -60.79 -32.5 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -74.74 -60.57 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.85 -28.74 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -80.1 -56.9 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.24 -27.56 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -104.78 9.08 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -61.22 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.89 -29.37 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -55.06 -36.79 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HB3' HD12 ' A' ' 48' ' ' ILE . 8.8 m-85 -94.89 -26.29 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 m -60.44 -29.54 69.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -99.04 -29.67 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 mtm -73.17 -31.17 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.7 71.1 82.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.66 32.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.23 -22.94 58.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -85.25 160.55 19.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.99 162.59 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.07 -40.87 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.595 ' O ' HG23 ' A' ' 50' ' ' VAL . 45.6 ttp85 -56.73 -27.74 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.88 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 36' ' ' TYR . 46.7 mm -51.8 -41.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 t -67.92 -47.79 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 46' ' ' ARG . 88.4 t -56.1 -41.0 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -74.57 -28.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.56 -46.58 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.91 -47.17 73.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.13 -45.65 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -58.63 -36.33 73.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -66.87 -22.49 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -87.84 -34.01 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -34.14 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.9 mtm -56.84 168.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -98.25 -178.87 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -62.1 -49.4 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.56 -40.39 92.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -56.1 -25.87 47.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -100.04 -24.76 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.51 ' CG ' HD23 ' A' ' 69' ' ' LEU . 63.2 ttt180 -51.89 -38.75 57.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.8 ptp -51.98 -33.21 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.407 ' HD1' HD23 ' A' ' 27' ' ' LEU . 29.2 m-85 -94.74 -33.99 12.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -62.08 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' CG ' ' A' ' 65' ' ' ARG . 4.2 mm? -56.38 -37.27 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.78 -37.51 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.56 -53.02 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.72 -41.85 70.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.4 mtt -51.97 -45.55 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.23 -31.76 72.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.35 -60.47 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.25 -26.01 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -81.66 -56.62 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -58.5 -34.04 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.67 9.05 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -68.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.44 -35.43 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.99 -35.99 48.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.514 ' HB3' HG23 ' A' ' 48' ' ' ILE . 6.9 m-85 -95.0 -25.47 16.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 m -64.4 -32.6 74.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -95.58 -26.2 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.8 mtm -79.1 -27.11 42.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -132.06 69.43 80.63 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.88 8.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.38 -23.71 66.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.39 161.81 19.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.92 161.14 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -52.04 -43.37 63.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 50' ' ' VAL . 26.6 tpt180 -55.17 -43.95 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.68 99.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 36' ' ' TYR . 38.8 mm -57.85 -46.47 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -60.35 -43.04 96.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 46' ' ' ARG . 70.4 t -64.7 -54.98 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.02 -28.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.581 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.5 mt -68.09 -47.2 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -49.68 54.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -52.04 -44.15 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -69.75 -25.42 63.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -87.44 -29.04 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -27.94 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.0 mtm -60.21 172.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -99.18 178.26 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.36 -57.13 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.49 -38.36 84.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -56.45 -25.1 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -103.59 -25.72 13.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.543 ' HG2' HD13 ' A' ' 69' ' ' LEU . 44.4 ttt180 -51.76 -39.34 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.3 ptp -51.45 -34.01 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -95.95 -29.06 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.1 m -60.78 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD13 ' HG2' ' A' ' 65' ' ' ARG . 10.4 mp -63.21 -44.13 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.01 -55.2 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.78 -29.3 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HB1' ' HH2' ' A' ' 56' ' ' TRP . . . -53.68 -53.82 46.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -53.77 -45.44 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mtt -51.98 -46.5 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.62 -28.22 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -76.48 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.01 -25.28 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -74.58 -56.91 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -56.38 -26.05 51.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -108.5 9.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -65.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.04 -32.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -57.0 -27.16 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.632 ' HB3' HG23 ' A' ' 48' ' ' ILE . 5.7 m-85 -92.65 -29.7 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 m -61.74 -37.25 83.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -87.92 -27.86 21.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 mtm -74.55 -34.73 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -131.57 70.9 81.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -17.04 37.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.84 -20.04 51.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -88.91 153.83 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.87 159.76 18.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -52.25 -34.46 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.9 tpt180 -59.47 -34.65 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.93 -38.71 27.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' A' ' 36' ' ' TYR . 44.5 mm -51.73 -50.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.1 m -61.02 -45.77 93.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.4 t -55.68 -44.92 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -28.66 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.84 -48.46 45.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.91 82.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.62 -51.24 63.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -55.66 -40.32 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.452 ' HH2' ' HB1' ' A' ' 24' ' ' ALA . 31.8 t-105 -61.99 -26.54 68.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.77 -35.22 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -71.59 -34.42 69.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.2 mtm -52.3 165.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -173.55 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -65.66 -53.85 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.92 -36.46 83.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -58.17 -22.92 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -95.53 -25.36 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.586 ' HG2' HD23 ' A' ' 69' ' ' LEU . 14.6 ttt180 -52.51 -39.0 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.1 ptp -51.74 -32.26 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -95.91 -37.23 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -61.7 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.586 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.2 mm? -61.53 -47.49 85.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.04 -62.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.39 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.796 0.332 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.97 -52.26 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -53.31 -42.8 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mtt -51.95 -44.11 63.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 27' ' ' LEU . 6.4 tp -66.26 -29.97 70.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.59 -60.53 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.76 -26.43 34.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -83.03 -55.21 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -58.51 -32.06 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.21 9.07 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -67.49 -70.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.26 -30.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -66.06 -31.87 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.29 -25.85 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.0 m -62.03 -30.73 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -99.7 -28.29 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.7 mtm -74.16 -34.35 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -125.08 69.4 58.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.21 68.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.43 -46.47 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.3 152.78 7.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.41 158.19 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -52.02 -43.97 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.9 tpt180 -53.97 -27.86 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.88 -43.88 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.53 -26.8 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -78.77 -50.01 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 46' ' ' ARG . 68.1 t -55.57 -38.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.07 -34.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.6 mt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.01 -49.6 54.74 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -51.93 -44.59 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.67 -33.92 72.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -70.43 -24.85 62.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -89.51 -31.15 17.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.06 55.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.6 mtm -62.3 179.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -103.52 -170.56 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -72.13 -47.69 49.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.84 -36.3 75.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.63 -26.19 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -99.56 -25.83 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.631 ' HG2' HD12 ' A' ' 69' ' ' LEU . 38.4 ttt180 -51.92 -38.61 56.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 ptp -52.01 -32.83 35.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -95.75 -31.43 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -58.93 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.631 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.6 mt -62.57 -43.12 99.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.02 -59.63 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.27 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.097 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.438 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.5 p-10 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.869 0.366 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.6 29.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -51.73 -35.52 43.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.438 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.07 -46.74 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.36 -27.91 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.48 -61.3 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.61 -25.48 38.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -85.65 -31.35 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -53.36 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.23 9.09 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.38 -34.5 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -51.93 -34.18 40.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.597 ' HB3' HD12 ' A' ' 48' ' ' ILE . 9.6 m-85 -94.94 -27.21 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -62.65 -31.02 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -97.14 -30.09 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.5 mtm -73.73 -34.1 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -126.34 70.05 69.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.15 22.79 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.35 -25.43 70.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.03 155.52 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.68 161.22 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -51.94 -39.18 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.682 ' O ' HG23 ' A' ' 50' ' ' VAL . 52.0 ttt85 -55.44 -40.49 71.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.44 70.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.062 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 36' ' ' TYR . 41.6 mm -54.34 -47.96 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -61.23 -45.48 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 46' ' ' ARG . 88.5 t -60.97 -49.74 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.25 -26.27 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.8 mt -70.78 -44.56 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.52 -48.21 71.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -51.99 -44.47 64.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -59.33 -35.87 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 47.4 t-105 -67.57 -24.56 65.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -86.69 -32.89 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 29.3 mtm -56.53 175.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -100.86 177.67 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -66.38 -32.29 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.2 -37.96 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.67 -24.39 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -94.18 -24.09 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.683 ' HG2' HD23 ' A' ' 69' ' ' LEU . 24.6 ttt180 -51.88 -39.04 58.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.88 -31.91 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.97 -35.7 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -52.76 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.683 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.4 mm? -70.11 -41.15 74.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.89 -59.88 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.32 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.3 84.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -56.61 -44.49 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 mtt -51.97 -47.16 64.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 27' ' ' LEU . 7.7 tp -63.69 -28.58 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -77.12 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.51 -25.58 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -82.47 -54.34 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.95 -35.4 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.936 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.39 9.04 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -66.46 -68.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.41 -28.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.87 -34.4 77.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -94.91 -26.32 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 m -63.75 -28.65 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -98.31 -26.14 14.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -78.01 -36.65 48.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.47 68.53 40.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.81 37.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.622 2.215 . . . . 0.0 112.351 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.95 -19.76 52.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.476 ' NZ ' HD11 ' A' ' 51' ' ' ILE . 55.7 mttt -85.58 156.98 20.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.23 159.1 16.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -52.12 -37.19 53.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 50' ' ' VAL . 13.9 tpt180 -59.8 -32.81 70.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.09 -40.02 24.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.79 -41.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -68.47 -51.25 45.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 46' ' ' ARG . 86.8 t -52.11 -41.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.476 HD11 ' NZ ' ' A' ' 43' ' ' LYS . 70.3 mt -73.39 -34.46 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.0 mt -64.0 -46.95 82.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.09 -50.2 52.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -52.02 -42.26 62.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 -62.74 -34.78 77.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -71.14 -27.8 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -86.52 -26.57 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -81.32 -30.73 33.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.8 mtm -57.14 174.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -172.64 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.76 -39.91 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -56.93 -24.68 54.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -96.79 -25.03 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -51.85 -38.89 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.81 -32.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.93 -32.56 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m -56.04 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -55.29 -62.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.5 -27.13 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.879 0.371 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.78 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -51.85 -45.28 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 mtt -51.89 -45.84 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD21 ' HG2' ' A' ' 70' ' ' GLU . 8.2 tp -66.49 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -79.52 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.9 -25.18 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -80.45 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.13 -24.69 68.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.91 9.09 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -60.48 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.86 -31.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -51.96 -36.42 49.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' HB3' HG23 ' A' ' 48' ' ' ILE . 8.9 m-85 -94.94 -26.67 16.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 m -60.87 -29.2 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -100.59 -30.32 11.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.4 mtm -73.14 -29.41 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -131.61 71.54 80.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.715 0.769 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.23 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.06 -20.28 72.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.49 158.43 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -96.34 164.1 12.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -52.53 -33.28 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.51 ' O ' HG23 ' A' ' 50' ' ' VAL . 36.9 ttm-85 -59.72 -32.13 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.83 -39.73 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.558 HG23 ' HB3' ' A' ' 36' ' ' TYR . 41.1 mm -54.8 -46.17 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -61.26 -47.02 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 46' ' ' ARG . 94.5 t -57.73 -52.0 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.53 -28.92 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.69 -40.72 76.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.02 83.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.9 -40.7 61.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -61.55 -33.68 74.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -91.46 -31.29 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -27.76 53.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.0 mtm -61.07 177.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -104.29 -174.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.56 -53.46 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.85 -39.33 94.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.44 -25.14 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -102.08 -26.03 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HG2' HD12 ' A' ' 69' ' ' LEU . 22.8 ttt-85 -52.08 -38.79 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -51.89 -32.75 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -32.55 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 m -55.52 -63.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.2 mt -61.18 -44.1 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.551 ' HG2' HD21 ' A' ' 27' ' ' LEU . 44.2 tp10 -54.05 -61.08 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -36.27 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.834 0.349 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -56.32 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.7 -40.71 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.46 -32.85 74.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -35.47 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -71.77 -58.19 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -57.35 -25.69 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.56 9.06 33.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.2 -73.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.6 -29.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -62.83 -35.08 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.92 -26.3 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 m -61.2 -31.5 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -96.03 -27.37 15.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -75.75 -31.12 59.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -131.21 69.72 82.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.06 25.49 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.62 -24.7 71.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -81.62 158.78 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -95.89 162.5 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -53.32 -38.68 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.5 ttm-85 -58.1 -26.6 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.94 -41.93 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mm -51.7 -30.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 -54.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.4 t -52.61 -34.99 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -76.31 -37.64 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.17 -47.91 78.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.13 -45.2 57.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.542 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -51.94 -51.97 53.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.68 -42.2 67.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.495 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 36.6 t-105 -60.63 -24.14 65.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -84.47 -33.85 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -33.5 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.495 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 44.0 mtm -57.97 166.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -93.04 -172.68 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.84 -50.84 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.77 -36.0 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.48 -25.75 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -98.98 -25.72 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.615 ' HG2' HD12 ' A' ' 69' ' ' LEU . 44.5 ttt180 -52.1 -38.66 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.94 -32.73 34.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.9 -30.99 13.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -59.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.615 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.0 mt -62.19 -43.89 97.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -53.12 -58.15 8.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.05 96.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.821 0.344 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.51 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.44 -42.29 96.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.26 64.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.37 -26.74 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -83.64 -58.04 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -56.83 -24.02 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -82.37 -56.51 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -59.3 -33.31 70.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.24 9.16 42.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -61.47 -70.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.42 -29.71 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.72 -37.81 52.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.06 -21.78 18.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.3 m -61.49 -35.4 77.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -95.59 -30.4 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.9 mtm -72.33 -29.38 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -132.21 72.19 78.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.13 8.18 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -22.49 65.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -83.82 167.06 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.68 159.87 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.99 -39.49 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 50' ' ' VAL . 18.6 tpp180 -59.44 -35.98 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.45 -41.38 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -52.08 -50.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 m -60.3 -43.05 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.4 t -61.88 -48.63 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.0 mt -63.12 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 29' ' ' ALA . 24.4 mt -68.95 -47.51 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.03 59.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -51.61 -41.35 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -63.13 -32.36 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -71.92 -25.1 61.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -85.96 -27.25 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -80.53 -30.39 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.6 mtm -58.02 175.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -100.94 -176.29 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -71.83 -27.23 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -86.3 -39.21 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.04 -25.98 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -95.74 -25.29 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.96 -38.55 56.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 ptp -52.01 -32.38 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -95.77 -37.96 10.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -57.66 9.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -39.15 93.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -59.12 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.3 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 tttp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 -55.78 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -54.23 -43.16 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -44.12 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.575 HD21 ' HG2' ' A' ' 70' ' ' GLU . 14.0 tp -63.48 -33.16 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -70.59 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.702 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.51 -28.82 47.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -78.49 -32.29 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -72.38 -50.47 26.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -89.39 8.95 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -51.98 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG13 ' OE2' ' A' ' 35' ' ' GLU . 13.0 p -70.51 -32.36 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' HG13 ' A' ' 34' ' ' VAL . 17.3 mm-40 -52.02 -34.27 42.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -94.99 -25.75 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.0 m -61.63 -28.3 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -99.08 -26.54 14.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.1 mtm -76.54 -34.22 58.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -129.59 72.04 82.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.83 -25.37 52.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -83.97 154.06 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.68 159.66 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -52.01 -46.82 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.5 tpt180 -52.88 -29.14 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.3 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.5 mm -51.99 -39.77 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -66.44 -46.05 77.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 46' ' ' ARG . 91.1 t -57.5 -34.69 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.4 mt -76.21 -28.76 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.7 mt -67.82 -48.16 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.05 77.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.84 -38.79 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -68.1 -36.26 79.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -70.01 -25.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -81.55 -25.61 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -32.16 22.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -52.2 163.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -95.14 176.17 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.43 -62.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -56.35 -30.53 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.67 -19.05 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -98.37 -26.41 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 69' ' ' LEU . 7.6 ttt180 -54.37 -41.13 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -50.64 -33.87 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.06 -31.1 13.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 m -59.36 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 65' ' ' ARG . 9.7 mp -62.63 -48.79 77.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.575 ' HG2' HD21 ' A' ' 27' ' ' LEU . 8.9 tp10 -51.82 -56.55 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.81 -25.18 66.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.927 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.842 0.354 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 68' ' ' THR . . . -60.87 -53.67 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -53.21 -42.54 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -61.78 -30.61 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -76.02 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.93 61.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -72.96 -58.36 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -59.49 -26.4 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -102.48 9.1 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ttp85 -66.47 -66.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 p -57.36 -31.54 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.82 -29.93 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.656 ' HB3' HG23 ' A' ' 48' ' ' ILE . 5.8 m-85 -92.84 -26.12 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -62.8 -39.9 95.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.19 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.39 -28.58 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -73.08 -37.21 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.59 70.55 82.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.84 24.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.407 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.3 64.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -80.18 153.79 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.08 163.2 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -55.6 -44.58 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.607 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.9 ttt-85 -53.98 -28.09 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.29 -42.52 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 36' ' ' TYR . 44.9 mm -55.46 -40.12 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 46' ' ' ARG . 90.6 t -57.79 -50.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.01 -30.58 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.67 -47.46 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.8 86.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -51.97 -44.6 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -64.87 -33.29 75.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -73.4 -25.55 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -85.75 -25.9 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -82.27 -27.98 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.9 mtm -58.32 175.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -99.12 -173.04 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -71.7 -42.57 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -35.85 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.37 -25.33 61.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -99.32 -25.12 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.637 ' HG2' HD12 ' A' ' 69' ' ' LEU . 53.4 ttt180 -51.9 -39.06 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.5 ptp -51.82 -32.5 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -95.74 -33.87 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.446 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 1.3 m -55.91 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.9 mt -63.38 -42.79 98.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.64 -61.04 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.73 -38.04 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.852 0.358 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.39 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.17 -41.03 64.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 mtt -52.0 -45.94 64.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.55 -34.88 74.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -71.16 -61.54 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -52.24 -29.41 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -80.98 -57.05 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.62 -26.12 54.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.98 9.0 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -62.21 -72.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -54.71 -29.17 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.69 -38.52 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.535 ' HB3' HD12 ' A' ' 48' ' ' ILE . 10.7 m-85 -94.85 -26.34 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -63.0 -29.56 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -98.72 -26.51 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -77.04 -35.97 56.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.73 68.46 42.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.756 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.13 37.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.19 -19.91 65.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -92.93 177.06 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -116.8 168.49 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -52.1 -39.44 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 50' ' ' VAL . 67.9 ttt180 -56.08 -31.31 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.85 12.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 36' ' ' TYR . 47.5 mm -51.85 -45.06 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 m -62.37 -44.06 97.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 46' ' ' ARG . 87.3 t -61.4 -49.46 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.45 -34.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.8 mt -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.19 -47.23 61.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.525 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -52.46 -47.24 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -57.35 -38.66 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.06 -26.84 68.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -81.75 -32.88 31.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -74.25 -35.05 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.6 mtm -54.35 166.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -95.1 -172.32 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.8 p30 -67.29 -51.36 53.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.75 -36.88 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.45 -26.16 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -101.82 -26.05 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HG2' HD12 ' A' ' 69' ' ' LEU . 47.5 ttt180 -52.04 -38.35 56.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.7 ptp -52.03 -34.44 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -93.86 -32.85 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 m -56.07 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.487 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.3 mt -60.75 -45.17 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -52.45 -59.41 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -37.06 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.546 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.4 p-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.812 0.339 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -57.39 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.7 -41.81 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.546 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.87 -44.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' LEU . 6.7 tp -63.11 -29.29 70.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -76.98 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -51.62 -30.6 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.73 -54.01 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -57.21 -28.71 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -103.23 9.05 38.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -66.75 -72.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.03 -34.82 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -57.09 -35.23 69.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.67 ' HB3' HD12 ' A' ' 48' ' ' ILE . 7.3 m-85 -94.92 -26.25 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -59.78 -30.29 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -97.51 -30.68 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.83 -27.64 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -133.28 71.97 76.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.97 -23.74 71.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -84.97 163.16 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.32 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -38.9 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' ' 50' ' ' VAL . 56.6 ttp180 -57.87 -31.11 66.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.46 -43.13 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.67 HD12 ' HB3' ' A' ' 36' ' ' TYR . 44.9 mm -55.46 -44.44 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -60.45 -41.79 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 46' ' ' ARG . 68.2 t -65.77 -55.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.36 -29.75 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 29' ' ' ALA . 17.5 mt -64.7 -48.6 74.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.1 -47.89 53.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.78 -45.34 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -61.5 -40.74 95.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -62.7 -21.65 65.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -82.16 -32.93 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -70.82 -40.89 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.4 mtm -53.2 163.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 174.61 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.09 -35.96 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -75.35 -39.33 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.35 -24.22 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -93.95 -24.02 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.502 ' HG2' HD23 ' A' ' 69' ' ' LEU . 24.3 ttt-85 -51.84 -38.76 57.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.6 ptp -52.0 -32.0 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -95.86 -37.71 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -62.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.5 mm? -62.64 -46.52 87.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -51.96 -58.92 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.23 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p30 . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.14 79.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -61.69 -41.39 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -55.18 -50.55 69.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.495 HD21 ' HG2' ' A' ' 70' ' ' GLU . 6.4 tp -58.02 -25.95 61.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -82.39 -58.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -60.45 -19.28 55.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -87.74 -32.36 19.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -81.83 -43.86 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.23 9.04 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.12 -62.11 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.64 -30.2 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.63 -37.0 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HB3' HD12 ' A' ' 48' ' ' ILE . 9.2 m-85 -95.12 -21.16 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -62.01 -36.27 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.76 -27.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.5 mtm -75.19 -27.56 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -131.26 69.49 82.11 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -18.73 36.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.39 -21.55 58.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -82.51 175.7 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 161.38 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -52.4 -44.4 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.6 tpm_? -58.68 -27.24 64.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.3 -39.25 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 36' ' ' TYR . 45.9 mm -58.68 -44.04 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 m -63.84 -41.04 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 46' ' ' ARG . 94.7 t -64.78 -52.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.23 -28.96 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 29' ' ' ALA . 14.8 mt -67.79 -48.14 67.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.47 -49.12 53.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -51.81 -43.54 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -60.27 -35.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -68.65 -25.04 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.19 -31.14 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -32.5 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.26 173.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -100.08 -172.92 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -70.41 -45.46 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -36.58 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.44 -25.34 59.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -97.45 -25.21 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.428 ' HG2' HD12 ' A' ' 69' ' ' LEU . 15.8 ttt-85 -52.07 -38.9 58.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.1 ptp -51.8 -32.68 32.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.9 -33.88 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 m -53.83 -63.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.3 mt -61.46 -45.61 93.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.495 ' HG2' HD21 ' A' ' 27' ' ' LEU . 8.2 tp10 -51.99 -60.23 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -26.38 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.842 0.353 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' ' 68' ' ' THR . . . -61.4 -49.11 78.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.49 -41.32 76.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.2 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.44 -35.09 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.08 -62.07 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.08 -28.51 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.41 -58.11 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -57.69 -25.97 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.54 9.03 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -61.82 -64.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.08 -34.19 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -57.79 -29.37 64.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.644 ' HB3' HG23 ' A' ' 48' ' ' ILE . 6.2 m-85 -93.35 -29.57 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -61.53 -39.6 91.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -85.15 -28.84 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtm -73.13 -35.67 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -129.75 70.99 82.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.709 0.766 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.26 24.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.83 -25.22 76.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -87.27 157.26 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -88.13 160.34 17.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.41 -40.26 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 50' ' ' VAL . 11.5 tpp85 -57.4 -32.13 66.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.66 -41.38 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' HB3' ' A' ' 36' ' ' TYR . 50.4 mm -51.79 -48.05 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -48.79 78.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 46' ' ' ARG . 89.8 t -54.36 -49.3 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.91 -26.04 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.0 -44.0 61.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.99 -44.32 92.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.87 -50.5 60.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -59.52 -33.43 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -72.08 -25.54 61.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -88.12 -30.28 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -28.18 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -60.52 176.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.51 -172.53 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.41 -50.8 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.6 -38.1 86.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -55.74 -26.06 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -98.95 -25.55 14.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.509 ' HG2' HD23 ' A' ' 69' ' ' LEU . 55.2 ttt180 -51.9 -38.78 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.97 -32.18 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -95.86 -36.86 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.4 mm? -70.23 -47.85 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.17 -57.42 9.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.68 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.9 p-10 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.823 0.344 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -55.75 28.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.95 -45.76 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.581 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -51.76 -48.13 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.5 -25.88 68.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -80.44 -60.57 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.91 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -73.61 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -59.93 -21.46 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -109.07 9.13 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -69.03 -45.94 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -72.08 -30.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -51.92 -37.6 53.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.417 ' HB2' HG23 ' A' ' 48' ' ' ILE . 54.4 m-85 -94.87 -21.06 18.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -62.27 -29.09 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -103.96 -28.43 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.51 -26.15 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.86 69.7 79.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.34 -19.99 63.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -89.77 156.74 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.85 153.73 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -52.69 -34.11 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -65.67 -33.82 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.69 -38.02 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 36' ' ' TYR . 44.5 mm -51.25 -52.28 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 m -53.5 -44.13 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.3 -36.52 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.77 -39.94 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 48' ' ' ILE . 4.2 mm? -54.22 -50.64 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.25 -48.51 47.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.72 -42.04 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -65.55 -39.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -64.72 -22.03 66.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -81.49 -29.96 33.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -31.99 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -52.13 154.17 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 179.31 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.31 -30.38 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.3 -37.67 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -58.31 -22.99 55.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -95.97 -24.42 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HG2' HD12 ' A' ' 69' ' ' LEU . 31.8 ttt180 -52.0 -39.04 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.8 -32.55 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -29.98 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.56 -64.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.2 mt -62.14 -42.45 99.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -58.42 -62.18 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.49 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.867 0.365 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.1 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.31 -41.7 80.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -44.74 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.512 HD23 ' HD1' ' A' ' 67' ' ' TYR . 8.1 tp -60.98 -31.37 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -75.4 -60.68 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.06 -28.75 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -78.46 -57.02 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -58.04 -26.11 62.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.04 8.98 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -67.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.57 -31.05 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -52.49 -36.59 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.95 -26.1 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 m -60.2 -30.23 69.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -95.87 -28.01 14.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.3 mtm -75.45 -29.53 59.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -132.53 70.28 79.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.689 0.757 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.32 28.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.4 64.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.45 157.62 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.325 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.76 160.01 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -52.35 -43.68 64.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 50' ' ' VAL . 13.6 tpp180 -55.28 -30.63 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.55 -44.25 16.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -51.87 -46.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -43.45 97.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 46' ' ' ARG . 57.4 t -60.09 -41.09 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.92 -28.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.0 mt -68.3 -47.96 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.61 63.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.94 -42.88 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -63.09 -34.55 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -69.01 -25.77 64.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -81.01 -25.98 36.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -77.15 -35.41 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.1 mtm -55.79 173.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -103.41 -178.61 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -66.08 -35.16 79.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.75 -40.14 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -57.82 -25.55 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -96.51 -24.57 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.613 ' HG2' HD12 ' A' ' 69' ' ' LEU . 41.1 ttt180 -52.05 -38.68 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.2 ptp -51.97 -32.54 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HD1' HD23 ' A' ' 27' ' ' LEU . 23.5 m-85 -95.91 -33.23 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -56.75 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.4 mt -63.37 -43.62 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -54.07 -58.58 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.56 67.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.828 0.346 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.48 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -56.26 -44.49 79.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtt -51.96 -42.83 63.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 67' ' ' TYR . 17.2 tp -67.66 -30.56 70.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.0 -62.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -53.71 -35.73 61.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -70.16 -58.32 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -57.91 -26.21 61.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.66 9.01 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -68.31 -71.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -54.56 -30.53 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -63.68 -33.02 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -94.88 -26.86 15.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -61.47 -33.35 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.52 -28.29 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtm -73.39 -36.48 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.38 69.98 53.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.6 29.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.87 -24.01 68.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -86.75 159.24 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -92.59 159.78 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -53.79 -28.77 36.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 50' ' ' VAL . 6.6 tpt180 -66.48 -31.9 72.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.54 -35.79 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.83 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -48.01 83.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 46' ' ' ARG . 66.1 t -53.12 -45.55 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.16 -33.21 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 29' ' ' ALA . 19.1 mt -64.19 -50.46 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.23 -48.83 52.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.95 -44.63 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -36.17 79.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.419 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 43.6 t-105 -68.61 -25.79 65.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -85.9 -31.06 22.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -31.28 42.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 21.8 mtm -55.48 174.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -99.85 -170.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.81 -49.63 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -67.78 -35.47 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.01 -23.81 62.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -103.53 -24.73 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -51.78 -39.12 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.7 ptp -51.5 -35.41 40.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.538 ' HA ' HD23 ' A' ' 27' ' ' LEU . 17.7 m-85 -93.81 -27.35 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -58.45 -65.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.9 -45.89 87.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -51.98 -57.4 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -30.35 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.804 0.335 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.6 -40.9 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.1 -45.9 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.76 -28.37 68.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.09 -59.28 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.624 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -53.56 -29.81 38.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -80.94 -56.49 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.08 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -105.08 9.05 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.06 -71.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.37 -30.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.57 -35.86 79.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.726 ' HB3' HD12 ' A' ' 48' ' ' ILE . 7.2 m-85 -94.89 -26.68 16.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -31.02 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -97.81 -30.51 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtm -73.19 -26.75 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' ILE . 50.2 m-85 -133.65 71.64 74.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.05 -22.87 44.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.79 162.89 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.22 168.19 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -51.93 -39.03 58.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.604 ' O ' HG23 ' A' ' 50' ' ' VAL . 37.1 ttp180 -52.68 -34.36 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.51 -43.99 16.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.726 HD12 ' HB3' ' A' ' 36' ' ' TYR . 45.2 mm -55.53 -47.67 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 m -58.85 -43.57 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 46' ' ' ARG . 97.7 t -65.24 -56.44 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.9 mt -54.92 -28.88 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.624 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.5 mt -67.89 -47.51 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.11 -49.59 49.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.8 -45.34 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -60.48 -35.8 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -67.94 -20.46 65.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -88.39 -31.28 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -35.55 56.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 mtm -52.73 163.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -94.79 169.51 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -53.31 -44.78 68.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.16 -40.65 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.91 -25.78 61.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -99.17 -26.19 14.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.481 ' CG ' HD12 ' A' ' 69' ' ' LEU . 37.5 ttt-85 -52.02 -38.53 57.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.5 ptp -52.04 -32.74 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -95.92 -30.09 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.26 -63.66 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD23 ' HE2' ' A' ' 72' ' ' LYS . 10.1 mt -63.22 -39.7 95.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -60.01 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.77 -27.89 66.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HE2' HD23 ' A' ' 69' ' ' LEU . 24.5 ttpt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -118.38 158.16 25.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.861 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -173.48 140.59 0.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 42.6 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -59.52 -175.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 t -52.9 155.71 2.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.13 -176.17 37.75 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -131.62 103.45 0.54 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 58.2 38.0 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.121 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.4 t -94.91 133.86 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.165 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.0 p -101.61 -177.43 3.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.69 110.53 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 p -115.0 -25.57 8.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.128 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 t 59.24 72.44 0.8 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -174.79 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.327 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -132.3 157.69 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt 56.18 27.29 11.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.5 p -58.94 177.31 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -122.52 47.91 1.85 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -100.96 160.62 26.19 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.623 0.725 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 175.81 7.62 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.412 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 21.1 mtp -104.64 90.44 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -65.71 173.84 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.59 -60.5 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.4 t80 -52.41 -43.88 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 11.3 mtp -51.8 -45.63 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.415 HD23 ' HD1' ' A' ' 67' ' ' TYR . 18.3 tp -65.43 -29.19 69.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' CE1' HD22 ' A' ' 52' ' ' LEU . 32.8 t80 -76.92 -60.69 2.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.634 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.55 -27.02 35.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.9 tmtt? -83.79 -57.81 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -56.54 -25.86 53.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -107.66 9.07 29.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.1 ttt-85 -60.16 -73.22 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.9 t -57.24 -29.6 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -51.79 -38.77 56.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.99 -19.17 20.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.1 m -63.62 -32.96 74.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.169 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -96.16 -26.16 15.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.2 mtm -77.67 -31.74 52.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -128.6 69.5 79.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.703 0.763 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.19 27.92 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.711 2.274 . . . . 0.0 112.344 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.57 -21.58 78.53 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -86.33 169.51 12.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -104.77 163.73 12.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -52.08 -45.71 64.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 50' ' ' VAL . 38.6 ttm180 -54.21 -28.8 43.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.12 -42.07 17.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 43.0 mm -53.44 -35.67 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 m -72.8 -51.02 20.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.6 t -52.3 -44.46 42.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.112 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.6 mt -66.19 -40.75 87.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.634 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.4 mt -55.01 -53.85 50.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.17 -42.43 55.35 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.455 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -51.94 -44.44 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.817 0.342 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -37.43 87.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.2 t-105 -69.09 -25.7 64.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -86.53 -25.9 24.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.92 -30.15 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 mtm -54.38 173.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -97.81 -172.62 2.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -75.01 -35.23 61.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -82.38 -30.43 30.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.5 -25.26 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.4 mtm180 -94.97 -23.71 17.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' HG2' HD12 ' A' ' 69' ' ' LEU . 34.6 ttt180 -51.85 -38.9 57.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.95 -32.43 33.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.415 ' HD1' HD23 ' A' ' 27' ' ' LEU . 24.5 m-85 -95.96 -32.46 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -57.72 -64.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.183 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.0 mt -62.54 -48.05 81.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -51.93 -56.33 14.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -56.89 -37.8 71.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.0 ttmm -52.63 -55.46 22.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.84 -37.85 53.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.8 mp -73.87 -30.43 62.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.05 -25.48 62.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -95.02 -43.04 8.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.6 -45.07 95.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -53.1 -30.53 36.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -74.01 -33.34 63.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 34.7 mtp85 -72.77 -37.68 67.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.822 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.5 mt -71.86 -26.23 62.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -115.51 71.31 3.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 0.0 110.868 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -23.97 30.09 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -98.8 75.44 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.34 105.99 11.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 20.3 m0 -111.54 -32.92 6.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 179.94 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.1 p -113.9 28.0 9.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 0.0 110.884 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -87.37 125.28 34.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.64 134.59 12.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.5 p -89.15 137.7 32.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -62.08 134.61 56.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.51 -132.05 2.59 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.56 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.92 -157.48 19.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.92 119.21 30.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.854 0.359 . . . . 0.0 111.151 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 31.0 m -82.12 158.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.3 t -125.34 105.75 9.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.35 -27.81 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.5 p -133.99 124.26 25.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -62.75 160.55 35.3 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.703 0.763 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 157.37 60.73 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.667 2.245 . . . . 0.0 112.407 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.4 t30 -100.42 104.67 16.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -82.73 -26.25 32.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -52.05 168.2 0.1 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -124.83 138.42 54.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -159.24 160.59 28.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.554 0.692 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.21 39.15 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.638 2.226 . . . . 0.0 112.334 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.458 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 1.8 mtp -107.95 90.62 3.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -68.65 157.49 36.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.16 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -52.02 -42.4 63.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.8 mtt -51.97 -47.57 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD23 ' HD1' ' A' ' 67' ' ' TYR . 1.9 tp -60.79 -32.5 71.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -74.74 -60.57 2.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.85 -28.74 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -80.1 -56.9 3.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -58.24 -27.56 64.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -104.78 9.08 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.7 ttp85 -61.22 -70.07 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.89 -29.37 40.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -55.06 -36.79 65.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.428 ' HB3' HD12 ' A' ' 48' ' ' ILE . 8.8 m-85 -94.89 -26.29 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.899 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.9 m -60.44 -29.54 69.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -99.04 -29.67 12.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.4 mtm -73.17 -31.17 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -129.7 71.1 82.18 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.707 0.765 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.66 32.99 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.676 2.25 . . . . 0.0 112.354 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.23 -22.94 58.09 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -85.25 160.55 19.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -96.99 162.59 13.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -53.07 -40.87 64.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.595 ' O ' HG23 ' A' ' 50' ' ' VAL . 45.6 ttp85 -56.73 -27.74 59.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.22 -42.88 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.428 HD12 ' HB3' ' A' ' 36' ' ' TYR . 46.7 mm -51.8 -41.34 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.098 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 t -67.92 -47.79 67.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 46' ' ' ARG . 88.4 t -56.1 -41.0 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -74.57 -28.14 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.8 mt -69.56 -46.58 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.91 -47.17 73.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -52.13 -45.65 65.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmt-85 -58.63 -36.33 73.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 58.8 t-105 -66.87 -22.49 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.7 mtmt -87.84 -34.01 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -34.14 68.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.9 mtm -56.84 168.31 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -98.25 -178.87 4.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -62.1 -49.4 76.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -65.56 -40.39 92.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -56.1 -25.87 47.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.4 mtm180 -100.04 -24.76 14.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.51 ' CG ' HD23 ' A' ' 69' ' ' LEU . 63.2 ttt180 -51.89 -38.75 57.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.8 ptp -51.98 -33.21 37.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.407 ' HD1' HD23 ' A' ' 27' ' ' LEU . 29.2 m-85 -94.74 -33.99 12.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.963 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.52 -62.08 2.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.51 HD23 ' CG ' ' A' ' 65' ' ' ARG . 4.2 mm? -56.38 -37.27 69.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -65.42 -66.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.458 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -52.78 -37.51 59.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -54.08 -53.39 53.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.39 63.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mp -72.05 -41.89 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.21 -25.62 62.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -89.83 -23.9 21.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.22 -26.02 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -81.54 -34.47 31.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 pttp -61.11 -26.09 67.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -78.11 -47.26 18.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.6 mt -61.7 -26.31 67.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -114.79 73.41 3.04 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.627 0.727 . . . . 0.0 110.897 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -33.04 17.36 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.626 2.217 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -96.93 81.08 3.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 36.6 m -95.89 33.91 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.884 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 51.9 m0 -111.09 44.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.1 tttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 179.878 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.8 m -117.72 55.2 0.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -64.83 115.77 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.55 110.11 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -93.55 62.48 3.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -88.95 136.65 32.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.89 -90.68 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.55 165.9 16.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.9 p -104.77 104.45 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 111.162 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.21 122.13 57.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.7 t -155.67 126.24 6.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.11 103.51 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.069 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -140.69 145.42 36.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -111.0 160.58 28.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.657 0.741 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 119.4 6.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.385 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -118.94 134.69 55.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 mtmp? -72.19 125.12 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 t -84.96 128.65 34.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -120.75 46.11 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 mtm180 -131.79 160.62 66.78 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 147.84 63.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.751 2.301 . . . . 0.0 112.329 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.488 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 7.4 mtm -81.96 95.82 7.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -53.4 168.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.56 -53.02 60.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -54.72 -41.85 70.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.4 mtt -51.97 -45.55 64.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -62.23 -31.76 72.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -75.35 -60.47 2.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.581 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.25 -26.01 37.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -81.66 -56.62 3.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -58.5 -34.04 70.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -97.67 9.05 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -68.1 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.5 p -61.44 -35.43 66.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -51.99 -35.99 48.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.514 ' HB3' HG23 ' A' ' 48' ' ' ILE . 6.9 m-85 -95.0 -25.47 16.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.936 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 24.4 m -64.4 -32.6 74.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.195 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -95.58 -26.2 15.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.8 mtm -79.1 -27.11 42.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 38.7 m-85 -132.06 69.43 80.63 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -37.88 8.59 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.742 2.295 . . . . 0.0 112.318 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.38 -23.71 66.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -85.39 161.81 19.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.77 0.319 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -90.92 161.14 15.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -52.04 -43.37 63.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 50' ' ' VAL . 26.6 tpt180 -55.17 -43.95 74.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.68 99.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.514 HG23 ' HB3' ' A' ' 36' ' ' TYR . 38.8 mm -57.85 -46.47 87.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -60.35 -43.04 96.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 46' ' ' ARG . 70.4 t -64.7 -54.98 23.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.4 mt -56.02 -28.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.581 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.5 mt -68.09 -47.2 68.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.13 -49.68 54.87 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.528 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -52.04 -44.15 64.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -60.2 -34.42 73.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -69.75 -25.42 63.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.7 mttt -87.44 -29.04 21.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -27.94 36.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.0 mtm -60.21 172.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mmtt -99.18 178.26 4.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.36 -57.13 14.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -60.49 -38.36 84.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -56.45 -25.1 49.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -103.59 -25.72 13.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.543 ' HG2' HD13 ' A' ' 69' ' ' LEU . 44.4 ttt180 -51.76 -39.34 58.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.3 ptp -51.45 -34.01 33.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -95.95 -29.06 14.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 41.1 m -60.78 -64.25 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD13 ' HG2' ' A' ' 65' ' ' ARG . 10.4 mp -63.21 -44.13 96.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -52.01 -55.2 21.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -66.78 -29.3 69.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -66.38 -55.86 13.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.46 -37.92 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.7 mt -73.81 -38.05 64.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.35 -25.27 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -89.56 -23.64 21.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -91.9 -26.11 18.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -81.45 -35.14 30.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -60.41 -26.0 66.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 15.5 mtp85 -78.13 -43.76 27.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.15 -27.37 67.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -120.3 72.97 20.11 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.661 0.743 . . . . 0.0 110.905 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -38.77 7.44 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.91 67.52 4.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 p -80.62 -26.64 37.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.3 m0 -112.95 52.66 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 29.0 mttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -64.55 110.35 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -123.93 155.52 38.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.79 179.15 19.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.0 m -67.48 99.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.857 0.361 . . . . 0.0 110.833 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t 57.5 31.46 20.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.63 158.52 14.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.444 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 157.95 125.82 0.86 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.7 p -86.06 110.26 19.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.341 . . . . 0.0 111.14 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 23.7 t -79.04 82.88 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p 54.72 27.23 8.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.824 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.79 -62.46 1.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 p -66.12 118.65 10.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 160.58 77.49 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.661 0.743 . . . . 0.0 110.859 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.04 19.85 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -141.75 164.25 30.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -64.31 155.73 31.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 98.0 m -113.42 69.89 0.71 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.62 51.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.44 157.59 64.51 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.6 0.714 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 151.84 68.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.342 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 60.2 mtp -109.81 90.4 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -54.13 171.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HB1' ' HH2' ' A' ' 56' ' ' TRP . . . -53.68 -53.82 46.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.077 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -53.77 -45.44 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 5.5 mtt -51.98 -46.5 64.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -64.62 -28.22 69.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -76.48 -61.22 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.01 -25.28 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -74.58 -56.91 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -56.38 -26.05 51.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -108.5 9.01 27.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.91 -65.37 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.04 -32.53 56.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -57.0 -27.16 61.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.632 ' HB3' HG23 ' A' ' 48' ' ' ILE . 5.7 m-85 -92.65 -29.7 15.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.2 m -61.74 -37.25 83.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -87.92 -27.86 21.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 mtm -74.55 -34.73 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -131.57 70.9 81.46 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.944 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -17.04 37.8 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.352 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.84 -20.04 51.79 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -88.91 153.83 20.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.877 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.87 159.76 18.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -52.25 -34.46 46.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.638 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.9 tpt180 -59.47 -34.65 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -80.93 -38.71 27.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' A' ' 36' ' ' TYR . 44.5 mm -51.73 -50.7 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.1 m -61.02 -45.77 93.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.4 t -55.68 -44.92 78.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.116 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.9 mt -70.55 -28.66 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 mt -71.84 -48.46 45.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.936 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.87 -40.91 82.57 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -53.62 -51.24 63.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.798 0.333 . . . . 0.0 110.823 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.5 mtt180 -55.66 -40.32 72.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.452 ' HH2' ' HB1' ' A' ' 24' ' ' ALA . 31.8 t-105 -61.99 -26.54 68.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -79.77 -35.22 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -71.59 -34.42 69.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 31.2 mtm -52.3 165.81 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.89 -173.55 2.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -65.66 -53.85 35.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -62.92 -36.46 83.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -58.17 -22.92 53.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -95.53 -25.36 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.586 ' HG2' HD23 ' A' ' 69' ' ' LEU . 14.6 ttt180 -52.51 -39.0 60.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.1 ptp -51.74 -32.26 29.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -95.91 -37.23 10.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.45 -61.7 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.167 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.586 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.2 mm? -61.53 -47.49 85.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -52.04 -62.01 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.94 -35.39 61.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -54.15 -54.86 33.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.7 -39.1 67.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.085 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -65.14 -42.14 94.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.91 -46.82 89.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -70.37 -47.89 58.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -52.76 -41.69 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -53.99 -42.09 68.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -65.61 -31.68 72.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -67.64 -39.93 84.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.0 mp -74.94 -31.47 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -118.11 71.5 8.59 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.672 0.749 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -26.73 27.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.382 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -54.32 -35.26 62.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 18.3 m -127.15 177.37 6.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.5 m0 -109.36 43.49 1.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 m -84.23 152.02 24.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.6 m -113.25 161.17 17.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.74 -53.94 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 t -83.2 121.77 27.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -150.04 116.1 5.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.28 108.08 3.09 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.501 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.17 143.88 27.86 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.497 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.4 t -151.98 130.92 12.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.832 0.349 . . . . 0.0 111.142 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.0 t 54.24 73.45 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 t -129.98 -42.54 1.24 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.15 143.82 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.2 p -139.04 -178.67 5.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -119.81 160.74 41.34 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.677 0.751 . . . . 0.0 110.832 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 80.25 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.91 -32.94 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -125.6 64.76 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.3 t -146.16 124.49 12.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -130.63 76.05 1.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.7 ptt180 -178.32 157.65 1.07 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.613 0.721 . . . . 0.0 110.837 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 144.66 54.33 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.434 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 7.8 mtm -74.89 103.0 4.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -52.91 171.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.97 -52.26 65.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.04 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -53.31 -42.8 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 3.0 mtt -51.95 -44.11 63.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 27' ' ' LEU . 6.4 tp -66.26 -29.97 70.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.93 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -76.59 -60.53 2.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.462 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.76 -26.43 34.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -83.03 -55.21 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -58.51 -32.06 68.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.21 9.07 43.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -67.49 -70.25 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -56.26 -30.11 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -66.06 -31.87 73.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -94.29 -25.85 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.0 m -62.03 -30.73 71.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.105 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -99.7 -28.29 13.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.7 mtm -74.16 -34.35 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -125.08 69.4 58.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.682 0.753 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.21 68.06 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.24 . . . . 0.0 112.364 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.43 -46.47 3.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -55.3 152.78 7.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.721 0.296 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.41 158.19 20.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -52.02 -43.97 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 50' ' ' VAL . 15.9 tpt180 -53.97 -27.86 33.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.88 -43.88 17.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.2 mm -56.53 -26.8 23.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.4 t -78.77 -50.01 12.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 46' ' ' ARG . 68.1 t -55.57 -38.12 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.8 mt -76.07 -34.01 25.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.6 mt -67.32 -47.95 69.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.01 -49.6 54.74 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -51.93 -44.59 63.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.2 mmt-85 -59.67 -33.92 72.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -70.43 -24.85 62.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -89.51 -31.15 17.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.4 -26.06 55.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.6 mtm -62.3 179.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -103.52 -170.56 1.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -72.13 -47.69 49.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -69.84 -36.3 75.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -57.63 -26.19 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -99.56 -25.83 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.631 ' HG2' HD12 ' A' ' 69' ' ' LEU . 38.4 ttt180 -51.92 -38.61 56.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 ptp -52.01 -32.83 35.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -95.75 -31.43 13.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 m -58.93 -64.3 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.631 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.6 mt -62.57 -43.12 99.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -53.02 -59.63 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -60.67 -31.27 70.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.097 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -62.45 -58.99 5.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.77 -39.88 62.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.093 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.7 mt -74.02 -25.92 60.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.37 -25.94 59.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.047 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -95.51 -45.17 7.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.904 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -57.97 -45.93 85.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -52.05 -30.23 24.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -75.21 -39.29 60.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -63.69 -29.58 70.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.5 mp -73.1 -37.31 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -118.63 69.88 8.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.584 0.707 . . . . 0.0 110.896 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -29.11 24.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.1 t70 62.5 26.9 15.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.0 p -92.79 -27.39 17.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -92.4 62.76 4.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 18.9 tptm . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.863 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.4 p -65.03 105.61 1.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.852 0.358 . . . . 0.0 110.909 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -122.85 81.05 1.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.15 -175.64 43.69 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.514 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -87.21 57.73 4.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.89 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -123.8 100.97 7.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.6 68.28 0.55 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.492 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.38 167.5 22.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -74.53 106.14 5.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.793 0.33 . . . . 0.0 111.133 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.8 p -79.14 -30.29 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.2 t -102.77 113.09 26.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.33 122.91 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -123.41 148.5 46.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.33 160.61 82.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.632 0.729 . . . . 0.0 110.853 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.79 163.35 38.61 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -144.35 105.87 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.71 -42.95 3.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 54.6 m -69.43 174.24 5.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -62.5 178.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -169.1 157.59 7.24 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.585 0.707 . . . . 0.0 110.854 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 170.35 16.69 Favored 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 70.5 mtp -102.68 91.96 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.438 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.5 p-10 -58.79 -176.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.48 -54.6 29.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -51.73 -35.52 43.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.438 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -59.07 -46.74 87.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.7 tp -63.36 -27.91 69.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -76.48 -61.3 2.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.427 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.61 -25.48 38.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt -85.65 -31.35 22.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.21 -53.36 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.23 9.09 27.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -63.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.8 p -63.38 -34.5 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -51.93 -34.18 40.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.597 ' HB3' HD12 ' A' ' 48' ' ' ILE . 9.6 m-85 -94.94 -27.21 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -62.65 -31.02 71.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -97.14 -30.09 13.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.5 mtm -73.73 -34.1 64.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -126.34 70.05 69.36 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.689 0.757 . . . . 0.0 110.941 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -30.15 22.79 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.254 . . . . 0.0 112.332 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.35 -25.43 70.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.2 mttm -82.03 155.52 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -87.68 161.22 17.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -51.94 -39.18 58.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.682 ' O ' HG23 ' A' ' 50' ' ' VAL . 52.0 ttt85 -55.44 -40.49 71.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.6 -44.44 70.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.062 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.597 HD12 ' HB3' ' A' ' 36' ' ' TYR . 41.6 mm -54.34 -47.96 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.4 m -61.23 -45.48 94.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 46' ' ' ARG . 88.5 t -60.97 -49.74 83.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.116 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 59.4 mt -64.25 -26.27 40.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 29' ' ' ALA . 13.8 mt -70.78 -44.56 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.52 -48.21 71.88 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.482 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -51.99 -44.47 64.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.782 0.325 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -59.33 -35.87 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.408 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 47.4 t-105 -67.57 -24.56 65.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -86.69 -32.89 20.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -33.31 68.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 29.3 mtm -56.53 175.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -100.86 177.67 4.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -66.38 -32.29 73.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -81.2 -37.96 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -57.67 -24.39 56.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 52.1 mtm-85 -94.18 -24.09 17.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.683 ' HG2' HD23 ' A' ' 69' ' ' LEU . 24.6 ttt180 -51.88 -39.04 58.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 20.8 ptp -51.88 -31.91 30.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -95.97 -35.7 11.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -52.76 64.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.137 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.683 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.4 mm? -70.11 -41.15 74.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -58.89 -59.88 4.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.32 49.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -61.02 -58.5 8.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.97 -39.54 63.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.9 mt -73.9 -25.77 60.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.56 -25.45 57.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.056 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -99.26 -35.38 9.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -69.79 -42.01 74.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -53.85 -33.17 55.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -70.26 -29.89 66.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -80.62 -29.68 36.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 96.5 mt -83.29 -28.62 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -119.17 71.08 11.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.729 . . . . 0.0 110.906 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -18.68 36.7 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.232 . . . . 0.0 112.328 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -84.83 56.42 3.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 p -132.93 166.7 21.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.9 m0 56.08 52.18 10.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.925 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 p -90.54 128.02 36.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -172.91 168.63 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.56 -39.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -83.17 137.82 33.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.911 0.386 . . . . 0.0 110.859 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 m -134.65 60.93 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.8 59.94 0.59 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.529 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -171.49 89.05 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.427 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.4 m -105.29 -33.2 8.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.849 0.357 . . . . 0.0 111.152 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 16.1 m -68.25 135.32 28.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.6 p -116.86 -47.48 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.48 131.33 55.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.3 p -116.79 133.6 55.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.2 p -174.05 160.53 2.94 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.681 0.753 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 169.45 18.89 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -161.46 122.3 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -152.33 160.63 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 55.6 m -61.74 95.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.19 159.94 36.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 mtp180 63.16 160.6 0.12 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.833 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 91.1 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.1 ptm -69.6 108.74 3.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -54.6 173.27 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.94 -42.3 84.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -56.61 -44.49 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.5 mtt -51.97 -47.16 64.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 27' ' ' LEU . 7.7 tp -63.69 -28.58 70.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -77.12 -60.82 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.51 -25.58 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -82.47 -54.34 5.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -59.95 -35.4 74.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.936 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -94.39 9.04 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -66.46 -68.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.7 p -56.41 -28.9 27.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.147 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -63.87 -34.4 77.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -94.91 -26.32 16.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.3 m -63.75 -28.65 70.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.153 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -98.31 -26.14 14.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -78.01 -36.65 48.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -123.47 68.53 40.35 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.922 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -16.81 37.67 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.622 2.215 . . . . 0.0 112.351 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.95 -19.76 52.42 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.476 ' NZ ' HD11 ' A' ' 51' ' ' ILE . 55.7 mttt -85.58 156.98 20.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.787 0.327 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -91.23 159.1 16.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -52.12 -37.19 53.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' O ' HG23 ' A' ' 50' ' ' VAL . 13.9 tpt180 -59.8 -32.81 70.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.09 -40.02 24.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.1 mm -51.79 -41.19 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 t -68.47 -51.25 45.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 46' ' ' ARG . 86.8 t -52.11 -41.0 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.14 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.476 HD11 ' NZ ' ' A' ' 43' ' ' LYS . 70.3 mt -73.39 -34.46 43.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.0 mt -64.0 -46.95 82.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.09 -50.2 52.55 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.519 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -52.02 -42.26 62.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.767 0.318 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 -62.74 -34.78 77.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.2 t-105 -71.14 -27.8 63.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -86.52 -26.57 24.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -81.32 -30.73 33.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 27.8 mtm -57.14 174.3 0.19 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 -172.64 2.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -75.85 -28.75 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -84.76 -39.91 17.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -56.93 -24.68 54.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.9 mtm180 -96.79 -25.03 15.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -51.85 -38.89 57.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.8 ptp -51.81 -32.63 32.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.93 -32.56 12.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 m -56.04 -63.9 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 mt -59.6 -43.56 93.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -55.29 -62.37 1.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.5 -27.13 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.069 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -64.2 -59.92 3.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.85 61.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.2 mt -73.84 -27.56 61.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.95 -28.79 69.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -100.95 -38.33 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.11 -21.55 59.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -82.74 -21.76 34.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -80.95 -44.26 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 13.0 ptt85 -62.66 -31.89 72.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -68.07 -37.21 81.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -118.87 73.79 12.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.731 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -16.34 37.43 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -103.26 28.28 6.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.83 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 p -71.95 -173.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 30.6 m0 -62.12 -42.82 99.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.932 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m 60.8 48.23 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.922 0.391 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.5 p -128.6 120.99 27.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.806 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.72 175.12 20.44 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -143.41 110.9 5.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -136.62 141.01 43.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.6 41.13 0.23 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.33 117.01 4.37 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.0 t -139.75 131.4 27.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.085 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.7 131.9 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.7 m -123.22 -53.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -110.37 149.91 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.1 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -105.06 109.44 21.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.9 p -179.3 70.06 0.18 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.692 0.758 . . . . 0.0 110.914 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 127.07 14.05 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.647 2.232 . . . . 0.0 112.364 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -126.3 105.64 8.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.96 163.39 13.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.6 p -91.42 -31.31 16.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -133.14 149.53 52.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 160.66 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.582 0.706 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 108.23 2.05 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.308 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.567 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 14.7 ptm -69.26 107.24 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.77 -42.78 72.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -51.85 -45.28 63.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.8 mtt -51.89 -45.84 64.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD21 ' HG2' ' A' ' 70' ' ' GLU . 8.2 tp -66.49 -25.74 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -79.52 -60.56 2.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.9 -25.18 56.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.6 ttpp -80.45 -55.5 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -63.13 -24.69 68.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -108.91 9.09 26.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -60.48 -64.09 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.1 p -64.86 -31.14 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -51.96 -36.42 49.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' HB3' HG23 ' A' ' 48' ' ' ILE . 8.9 m-85 -94.94 -26.67 16.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.3 m -60.87 -29.2 69.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -100.59 -30.32 11.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.4 mtm -73.14 -29.41 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -131.61 71.54 80.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.715 0.769 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -33.23 17.06 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.73 2.287 . . . . 0.0 112.353 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.06 -20.28 72.7 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.49 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -94.49 158.43 15.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -96.34 164.1 12.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -52.53 -33.28 44.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.51 ' O ' HG23 ' A' ' 50' ' ' VAL . 36.9 ttm-85 -59.72 -32.13 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.83 -39.73 16.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.558 HG23 ' HB3' ' A' ' 36' ' ' TYR . 41.1 mm -54.8 -46.17 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -61.26 -47.02 87.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.81 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 46' ' ' ARG . 94.5 t -57.73 -52.0 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.53 -28.92 45.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.69 -40.72 76.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.979 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.02 83.01 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -51.9 -40.7 61.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.777 0.323 . . . . 0.0 110.833 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.4 mmt180 -61.55 -33.68 74.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -70.98 -23.26 62.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -91.46 -31.29 16.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.3 -27.76 53.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.0 mtm -61.07 177.62 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 mttm -104.29 -174.07 2.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -66.56 -53.46 34.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.85 -39.33 94.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.44 -25.14 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.0 mtm180 -102.08 -26.03 13.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HG2' HD12 ' A' ' 69' ' ' LEU . 22.8 ttt-85 -52.08 -38.79 58.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -51.89 -32.75 33.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -32.55 12.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 m -55.52 -63.5 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.139 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.413 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.2 mt -61.18 -44.1 97.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.551 ' HG2' HD21 ' A' ' 27' ' ' LEU . 44.2 tp10 -54.05 -61.08 2.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.567 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -54.02 -36.27 62.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.081 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.75 -58.02 8.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.87 -38.49 64.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 74' ' ' LEU . 25.9 mt -74.42 -25.73 59.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.31 -25.13 39.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.093 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -95.57 -44.61 7.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -52.27 -44.1 64.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -54.89 -26.78 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.8 -37.83 67.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -72.91 -41.93 64.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.6 mt -60.89 -26.05 67.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -115.7 73.45 4.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.09 37.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.649 2.232 . . . . 0.0 112.371 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -85.28 -26.43 26.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 77.9 m -84.12 60.41 5.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.8 m0 -116.64 84.3 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 16.5 mttm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p -90.91 159.96 15.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.8 p -116.03 33.28 5.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.834 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.47 178.5 41.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.467 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -88.94 91.56 8.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.43 145.95 29.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.896 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.24 -91.01 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.36 -164.54 24.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.488 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.4 t -146.72 157.78 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.366 . . . . 0.0 111.12 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 14.9 p -71.25 142.79 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.7 p -100.61 45.09 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -152.29 169.27 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -83.45 84.76 7.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.113 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 m -66.46 160.52 65.93 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.676 0.751 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -17.38 37.71 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.372 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 t30 56.44 34.37 24.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -92.38 -31.38 15.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.2 t 61.37 48.33 6.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -89.41 -19.2 25.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 63.04 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.636 0.732 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 150.3 67.45 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.633 2.222 . . . . 0.0 112.332 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mtp -79.49 94.37 5.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -73.78 -176.34 2.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -56.32 10.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -52.7 -40.71 63.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -51.92 -43.12 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.46 -32.85 74.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -71.74 -62.02 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.25 -35.47 49.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -71.77 -58.19 3.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -57.35 -25.69 59.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -105.56 9.06 33.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.94 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -66.2 -73.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 p -53.6 -29.54 17.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -62.83 -35.08 78.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -94.92 -26.3 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 6.3 m -61.2 -31.5 71.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -96.03 -27.37 15.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 mtm -75.75 -31.12 59.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -131.21 69.72 82.19 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -28.06 25.49 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.345 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.62 -24.7 71.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -81.62 158.78 24.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.799 0.333 . . . . 0.0 110.923 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -95.89 162.5 13.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.5 t30 -53.32 -38.68 63.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.5 ttm-85 -58.1 -26.6 62.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.94 -41.93 11.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.059 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.4 mm -51.7 -30.59 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 -54.45 6.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 93.4 t -52.61 -34.99 20.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.4 mt -76.31 -37.64 31.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.099 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.17 -47.91 78.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.13 -45.2 57.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.542 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -51.94 -51.97 53.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.317 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.68 -42.2 67.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.495 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 36.6 t-105 -60.63 -24.14 65.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -84.47 -33.85 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.96 -33.5 70.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.495 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 44.0 mtm -57.97 166.0 1.65 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -93.04 -172.68 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -66.84 -50.84 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -66.77 -36.0 81.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -56.48 -25.75 52.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.0 mtm180 -98.98 -25.72 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.615 ' HG2' HD12 ' A' ' 69' ' ' LEU . 44.5 ttt180 -52.1 -38.66 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.94 -32.73 34.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -95.9 -30.99 13.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -59.21 -64.34 0.98 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.172 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.615 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.0 mt -62.19 -43.89 97.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -53.12 -58.15 8.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.53 -42.05 96.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.5 tttp -54.86 -31.4 59.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -78.47 -28.96 46.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.66 -39.94 80.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.59 -25.41 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -90.4 -22.54 21.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.14 -31.24 14.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -74.82 -37.16 62.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.6 pttm -56.6 -29.33 61.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -79.12 -35.38 42.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.6 mt -72.98 -27.32 61.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -132.14 75.91 74.06 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.661 0.744 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -48.25 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.293 . . . . 0.0 112.318 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 50.38 48.79 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 94.1 m -137.64 176.64 8.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 33.7 m0 -96.09 59.74 1.97 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -103.22 148.01 26.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 m -100.46 -179.89 4.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.854 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.22 122.55 4.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -123.91 156.88 35.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -73.01 150.53 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.815 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.73 -65.02 0.96 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.71 136.48 50.28 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.455 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 p -147.63 127.6 13.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.1 t -112.7 128.64 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 p -53.38 165.99 0.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.89 137.3 56.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 t -133.04 156.68 46.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.98 160.48 0.12 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.665 0.745 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 121.72 8.41 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -158.54 151.85 22.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ptmm? -86.0 142.95 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.0 p -173.94 161.98 3.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 ttmt -75.56 107.87 7.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 ptt-85 -51.75 156.88 2.16 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.576 0.703 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 108.2 2.02 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 4.3 ptm -69.48 106.99 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.86 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -58.54 177.32 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.71 -36.51 76.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -64.44 -42.29 96.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.81 -47.26 64.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 tp -59.37 -26.74 65.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.945 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -83.64 -58.04 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -56.83 -24.02 48.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.101 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.6 ttmm -82.37 -56.51 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -59.3 -33.31 70.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.24 9.16 42.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.941 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -61.47 -70.3 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.3 t -61.42 -29.71 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -51.72 -37.81 52.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -95.06 -21.78 18.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.3 m -61.49 -35.4 77.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -95.59 -30.4 13.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.9 mtm -72.33 -29.38 63.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -132.21 72.19 78.99 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.663 0.744 . . . . 0.0 110.885 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -38.13 8.18 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -63.2 -22.49 65.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.485 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mttt -83.82 167.06 17.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.68 159.87 14.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -51.99 -39.49 59.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 50' ' ' VAL . 18.6 tpp180 -59.44 -35.98 75.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.45 -41.38 60.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.0 mm -52.08 -50.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.7 m -60.3 -43.05 96.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 46' ' ' ARG . 81.4 t -61.88 -48.63 87.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.0 mt -63.12 -28.1 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 29' ' ' ALA . 24.4 mt -68.95 -47.51 65.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.12 -48.03 59.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -51.61 -41.35 61.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.9 mmt-85 -63.13 -32.36 73.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 47.3 t-105 -71.92 -25.1 61.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -85.96 -27.25 25.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -80.53 -30.39 37.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 35.6 mtm -58.02 175.44 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.858 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -100.94 -176.29 3.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -71.83 -27.23 62.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -86.3 -39.21 16.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.04 -25.98 59.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 58.7 mtm180 -95.74 -25.29 16.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -51.96 -38.55 56.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 ptp -52.01 -32.38 33.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -95.77 -37.96 10.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -52.35 -57.66 9.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.099 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -39.15 93.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' O ' HD23 ' A' ' 74' ' ' LEU . 7.5 tp10 -59.12 -65.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.17 -30.3 26.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -67.55 -39.3 84.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.49 -26.14 54.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.124 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 70' ' ' GLU . 4.0 mm? -67.93 -56.19 9.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.95 -25.75 61.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.138 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -89.88 -21.24 22.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -89.95 -17.62 27.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -90.44 -26.06 20.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -76.81 -31.57 57.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -74.35 -28.99 61.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.841 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.4 mt -78.42 -34.21 48.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.5 m-20 -120.88 71.17 19.89 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.632 0.729 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -32.31 18.84 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.64 2.227 . . . . 0.0 112.362 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.5 t0 61.29 41.07 13.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.846 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 28.1 p -105.98 178.76 4.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 26.6 m0 54.82 32.12 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -89.63 150.66 22.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.863 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -92.78 -38.86 11.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.874 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.34 -151.01 24.43 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.9 p -93.28 158.29 15.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.819 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 p -88.98 124.86 34.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.24 96.19 2.0 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -96.98 -106.44 2.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.9 p -121.2 118.24 29.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.148 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.9 m -110.55 -26.16 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.0 p -74.3 127.41 32.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.06 142.12 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.098 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 p -70.21 87.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.3 m -120.77 70.59 18.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.705 0.764 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -46.17 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.678 2.252 . . . . 0.0 112.401 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -154.82 132.46 11.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -127.8 171.96 11.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 79.5 m -68.74 173.24 5.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -101.37 122.99 44.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.11 157.55 76.74 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.592 0.711 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 89.76 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.689 2.259 . . . . 0.0 112.389 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.3 ptm -69.79 108.48 3.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -68.16 -174.37 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.72 -55.78 30.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -54.23 -43.16 70.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -51.94 -44.12 63.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.575 HD21 ' HG2' ' A' ' 70' ' ' GLU . 14.0 tp -63.48 -33.16 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.954 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -70.59 -61.91 1.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.702 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -54.51 -28.82 47.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.117 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mtpt -78.49 -32.29 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -72.38 -50.47 26.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -89.39 8.95 28.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -51.98 -65.1 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG13 ' OE2' ' A' ' 35' ' ' GLU . 13.0 p -70.51 -32.36 49.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' HG13 ' A' ' 34' ' ' VAL . 17.3 mm-40 -52.02 -34.27 42.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -94.99 -25.75 16.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.965 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 28.0 m -61.63 -28.3 69.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -99.08 -26.54 14.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.1 mtm -76.54 -34.22 58.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -129.59 72.04 82.01 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.908 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -43.17 2.81 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.719 2.279 . . . . 0.0 112.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.83 -25.37 52.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -83.97 154.06 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -86.68 159.66 19.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -52.01 -46.82 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' VAL . 14.5 tpt180 -52.88 -29.14 26.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.13 -43.3 17.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.5 mm -51.99 -39.77 26.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.3 t -66.44 -46.05 77.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 46' ' ' ARG . 91.1 t -57.5 -34.69 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.4 mt -76.21 -28.76 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.7 mt -67.82 -48.16 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.05 77.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -51.84 -38.79 57.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -68.1 -36.26 79.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -70.01 -25.73 63.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -81.55 -25.61 35.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.955 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.38 -32.16 22.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.2 mtm -52.2 163.39 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.6 mttt -95.14 176.17 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -56.43 -62.15 1.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -56.35 -30.53 62.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -67.67 -19.05 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -98.37 -26.41 14.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.651 ' HG2' HD13 ' A' ' 69' ' ' LEU . 7.6 ttt180 -54.37 -41.13 68.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.0 ptp -50.64 -33.87 24.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -96.06 -31.1 13.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.4 m -59.36 -64.24 1.01 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.651 HD13 ' HG2' ' A' ' 65' ' ' ARG . 9.7 mp -62.63 -48.79 77.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.575 ' HG2' HD21 ' A' ' 27' ' ' LEU . 8.9 tp10 -51.82 -56.55 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.81 -25.18 66.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.06 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -73.48 -29.01 62.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.69 -35.12 27.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.493 HD13 ' O ' ' A' ' 70' ' ' GLU . 9.0 mp -66.59 -37.58 85.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.95 -25.87 63.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.088 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -92.26 -23.6 19.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -89.64 -28.22 19.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -80.86 -29.3 35.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 36.2 pttt -66.28 -24.54 66.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -84.06 -33.18 24.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -64.67 -22.17 66.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -113.73 73.7 2.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.595 0.712 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.21 37.61 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.274 . . . . 0.0 112.372 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.13 51.8 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.8 m -148.06 179.31 7.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.8 m0 54.93 43.9 29.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 m -155.23 166.8 32.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -91.31 128.77 37.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.18 167.81 40.95 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.486 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 p -127.55 119.9 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 t -79.0 153.0 30.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.24 -127.77 8.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 178.3 131.92 1.63 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.481 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.1 m -135.6 134.25 39.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.137 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.91 138.46 21.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.0 t -139.68 164.25 30.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.23 -33.62 71.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 t -106.97 146.3 31.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -116.94 73.01 6.19 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.672 0.749 . . . . 0.0 110.84 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 179.29 3.81 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -110.76 129.94 55.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -122.1 -43.29 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.9 m -58.83 178.43 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -81.43 143.24 32.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -55.37 160.59 3.47 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.629 0.728 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -175.08 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 0.0 112.308 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.559 ' HE2' ' O ' ' A' ' 22' ' ' MET . 2.1 ptm -69.51 90.54 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -58.19 -178.68 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 68' ' ' THR . . . -60.87 -53.67 54.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.117 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -53.21 -42.54 66.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -52.0 -44.38 64.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.3 tp -61.78 -30.61 70.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -76.02 -60.51 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.33 -29.93 61.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 ttmt -72.96 -58.36 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -59.49 -26.4 65.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -102.48 9.1 39.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.4 ttp85 -66.47 -66.68 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.8 p -57.36 -31.54 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.82 -29.93 71.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.656 ' HB3' HG23 ' A' ' 48' ' ' ILE . 5.8 m-85 -92.84 -26.12 17.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 1.4 m -62.8 -39.9 95.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.19 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -86.39 -28.58 23.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.8 mtm -73.08 -37.21 66.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -130.59 70.55 82.44 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.916 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -28.84 24.77 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.618 2.212 . . . . 0.0 112.407 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.73 -23.3 64.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.493 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -80.18 153.79 28.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 0.0 110.94 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -85.08 163.2 18.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -55.6 -44.58 77.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.607 ' O ' HG23 ' A' ' 50' ' ' VAL . 33.9 ttt-85 -53.98 -28.09 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.29 -42.52 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.656 HG23 ' HB3' ' A' ' 36' ' ' TYR . 44.9 mm -55.46 -40.12 56.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -66.75 -46.42 75.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 46' ' ' ARG . 90.6 t -57.79 -50.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.164 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 61.9 mt -63.01 -30.58 49.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 mt -69.67 -47.46 63.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.65 -43.8 86.23 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -51.97 -44.6 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 14.3 mtt-85 -64.87 -33.29 75.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -73.4 -25.55 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -85.75 -25.9 26.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -82.27 -27.98 32.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 30.9 mtm -58.32 175.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -99.12 -173.04 2.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -71.7 -42.57 67.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -74.43 -35.85 63.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -58.37 -25.33 61.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.8 mtm180 -99.32 -25.12 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.637 ' HG2' HD12 ' A' ' 69' ' ' LEU . 53.4 ttt180 -51.9 -39.06 58.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.5 ptp -51.82 -32.5 31.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -95.74 -33.87 12.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.446 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 1.3 m -55.91 -63.64 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.138 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.637 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.9 mt -63.38 -42.79 98.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -54.64 -61.04 2.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.73 -38.04 53.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.0 ttmm -60.13 -58.74 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.73 -40.19 62.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.7 mt -73.03 -25.43 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.17 -25.36 55.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.087 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -96.58 -43.03 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -53.31 -39.34 63.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -57.92 -27.73 63.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -78.17 -36.65 47.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -36.32 78.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.7 mp -70.38 -31.29 68.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -122.19 72.65 36.61 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.637 0.732 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 -27.0 26.73 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.707 2.271 . . . . 0.0 112.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -111.89 85.19 2.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 97.0 m -84.47 171.41 12.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.96 -1.26 42.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.4 mmmm . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 p -155.39 125.72 6.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.898 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.6 m -155.35 -178.39 7.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.56 -157.12 43.7 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -133.46 163.91 28.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.898 0.38 . . . . 0.0 110.833 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 p -121.83 170.19 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.837 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.4 -154.93 21.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -71.2 102.96 1.15 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.446 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.5 m -98.51 35.71 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 24.1 t -97.82 111.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.7 t -164.64 155.97 15.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.807 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.63 -42.54 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.094 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 p -57.57 112.86 1.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.68 160.58 3.92 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.629 0.728 . . . . 0.0 110.881 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 141.14 44.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.654 2.236 . . . . 0.0 112.378 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -56.84 -56.85 16.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -55.77 145.93 22.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.1 p -62.29 145.92 52.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 pttp -118.16 147.95 42.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 63.14 160.63 0.12 Allowed Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.726 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.2 68.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.447 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 57.0 mmm -72.76 90.84 1.44 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -58.55 169.98 0.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.2 -51.39 68.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.081 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -53.17 -41.03 64.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 4.6 mtt -52.0 -45.94 64.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 tp -60.55 -34.88 74.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -71.16 -61.54 1.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.619 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -52.24 -29.41 22.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.101 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -80.98 -57.05 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -56.62 -26.12 54.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -106.98 9.0 30.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -62.21 -72.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.2 p -54.71 -29.17 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.69 -38.52 78.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.535 ' HB3' HD12 ' A' ' 48' ' ' ILE . 10.7 m-85 -94.85 -26.34 16.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.6 m -63.0 -29.56 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -98.72 -26.51 14.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.8 mtm -77.04 -35.97 56.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -123.73 68.46 42.87 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.689 0.756 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -17.13 37.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.19 -19.91 65.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -92.93 177.06 6.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.783 0.325 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -116.8 168.49 10.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -52.1 -39.44 59.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.554 ' O ' HG23 ' A' ' 50' ' ' VAL . 67.9 ttt180 -56.08 -31.31 63.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.02 -43.85 12.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.093 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.535 HD12 ' HB3' ' A' ' 36' ' ' TYR . 47.5 mm -51.85 -45.06 38.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 m -62.37 -44.06 97.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 46' ' ' ARG . 87.3 t -61.4 -49.46 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -65.45 -34.61 71.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.619 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.8 mt -64.81 -49.21 71.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.19 -47.23 61.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.525 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -52.46 -47.24 66.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -57.35 -38.66 74.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.06 -26.84 68.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -81.75 -32.88 31.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -74.25 -35.05 63.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 34.6 mtm -54.35 166.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -95.1 -172.32 2.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.413 ' H ' ' ND2' ' A' ' 61' ' ' ASN . 2.8 p30 -67.29 -51.36 53.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.75 -36.88 84.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.45 -26.16 60.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.6 mtm180 -101.82 -26.05 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HG2' HD12 ' A' ' 69' ' ' LEU . 47.5 ttt180 -52.04 -38.35 56.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.7 ptp -52.03 -34.44 43.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -93.86 -32.85 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 m -56.07 -65.0 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.487 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.3 mt -60.75 -45.17 95.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -52.45 -59.41 4.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -54.18 -37.06 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.092 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -58.05 -58.11 9.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.44 -39.12 60.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.096 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.4 mt -73.51 -26.3 60.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.06 -30.02 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -90.09 -23.2 21.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.685 ' O ' HD13 ' A' ' 81' ' ' LEU . 69.6 tt0 -79.85 -24.6 41.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -85.07 -31.83 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -77.78 -29.62 50.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.0 ptt85 -77.94 -33.45 51.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 77' ' ' GLU . 4.7 mp -66.38 -26.17 67.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -118.91 72.36 11.41 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.58 0.705 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -36.8 10.17 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.6 t70 59.96 40.54 18.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.4 t -157.17 153.93 28.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.06 -1.04 42.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.516 -0.233 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -81.39 149.73 28.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.917 0.389 . . . . 0.0 110.845 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -119.31 -177.93 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.29 -132.48 11.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.482 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -153.5 161.16 42.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.878 0.371 . . . . 0.0 110.889 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 p -117.54 108.96 16.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.856 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.67 -176.19 43.01 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.54 -54.7 0.66 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.3 m -64.97 -32.45 74.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 111.14 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.3 p -58.92 134.79 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.2 p -77.69 89.3 3.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.64 124.14 47.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.103 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 62.8 p -69.87 101.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.2 m -109.26 160.55 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.715 . . . . 0.0 110.921 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 115.56 4.15 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.695 2.264 . . . . 0.0 112.375 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.2 p-10 -96.88 122.74 40.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -81.13 -31.77 34.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.6 m -60.73 151.88 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.58 149.9 5.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -51.6 156.86 2.05 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.539 0.685 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 159.62 52.74 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 5.5 mtm -69.59 101.95 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.852 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.546 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.4 p-10 -59.19 -176.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.18 -57.39 13.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.063 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.7 -41.81 64.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.546 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.87 -44.9 63.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 27' ' ' LEU . 6.7 tp -63.11 -29.29 70.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -76.98 -59.2 2.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.719 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -51.62 -30.6 21.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -80.73 -54.01 6.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -57.21 -28.71 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -103.23 9.05 38.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -66.75 -72.16 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 7.9 p -54.03 -34.82 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -57.09 -35.23 69.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.67 ' HB3' HD12 ' A' ' 48' ' ' ILE . 7.3 m-85 -94.92 -26.25 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.2 m -59.78 -30.29 68.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -97.51 -30.68 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.83 -27.64 62.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -133.28 71.97 76.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.679 0.752 . . . . 0.0 110.918 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -36.48 10.69 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.97 -23.74 71.27 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -84.97 163.16 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.767 0.318 . . . . 0.0 110.881 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -99.32 161.3 13.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -52.14 -38.9 59.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.528 ' O ' HG23 ' A' ' 50' ' ' VAL . 56.6 ttp180 -57.87 -31.11 66.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.46 -43.13 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.67 HD12 ' HB3' ' A' ' 36' ' ' TYR . 44.9 mm -55.46 -44.44 75.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -60.45 -41.79 94.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 46' ' ' ARG . 68.2 t -65.77 -55.5 19.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.156 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.36 -29.75 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 29' ' ' ALA . 17.5 mt -64.7 -48.6 74.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.1 -47.89 53.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.486 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -51.78 -45.34 63.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -61.5 -40.74 95.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 38.6 t-105 -62.7 -21.65 65.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -82.16 -32.93 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -70.82 -40.89 72.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 33.4 mtm -53.2 163.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.87 174.61 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -59.09 -35.96 74.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -75.35 -39.33 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -61.35 -24.22 66.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.904 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -93.95 -24.02 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.502 ' HG2' HD23 ' A' ' 69' ' ' LEU . 24.3 ttt-85 -51.84 -38.76 57.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.6 ptp -52.0 -32.0 31.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -95.86 -37.71 10.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.92 -62.09 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.115 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.502 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.5 mm? -62.64 -46.52 87.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -51.96 -58.92 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.23 65.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -61.88 -56.82 15.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.75 -39.03 67.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt -73.57 -28.38 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.952 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.02 -26.23 53.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.07 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -95.13 -24.91 16.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -85.42 -24.37 27.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -86.73 -27.57 23.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -76.95 -25.71 53.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.22 -20.77 47.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.5 mt -84.3 -29.36 26.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -117.9 71.01 7.76 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.625 0.726 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -24.76 29.34 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t0 62.97 37.11 12.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 65.4 m -100.17 90.91 4.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 54.1 m0 -113.33 69.87 0.71 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 37.8 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -162.86 114.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.7 p -96.24 142.05 28.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.62 -93.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -57.55 156.58 8.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.885 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.4 m -83.45 -175.91 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.99 80.75 1.54 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.69 79.29 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.479 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -77.7 108.6 11.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 111.16 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.593 HG13 ' H ' ' A' ' 12' ' ' ALA . 7.6 p -83.25 -26.14 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 p 53.76 28.48 8.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.593 ' H ' HG13 ' A' ' 10' ' ' VAL . . . -55.87 165.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.121 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.1 p -97.46 173.6 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.0 m -124.37 160.57 52.25 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.687 0.756 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 95.38 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.635 2.224 . . . . 0.0 112.337 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -64.0 120.08 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -117.59 115.08 24.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.2 p -116.74 27.42 9.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -107.97 173.37 6.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.0 160.55 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.597 0.713 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.78 3.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.694 2.263 . . . . 0.0 112.333 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mtm -70.65 105.53 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -54.2 173.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.96 -40.14 79.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -61.69 -41.39 97.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mtt -55.18 -50.55 69.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.495 HD21 ' HG2' ' A' ' 70' ' ' GLU . 6.4 tp -58.02 -25.95 61.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -82.39 -58.72 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.655 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -60.45 -19.28 55.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.152 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.7 tttp -87.74 -32.36 19.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -81.83 -43.86 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -89.23 9.04 27.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -61.12 -62.11 2.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.64 -30.2 47.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.086 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -51.63 -37.0 48.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.435 ' HB3' HD12 ' A' ' 48' ' ' ILE . 9.2 m-85 -95.12 -21.16 18.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -62.01 -36.27 81.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -94.76 -27.91 15.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.5 mtm -75.19 -27.56 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -131.26 69.49 82.11 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.663 0.744 . . . . 0.0 110.932 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 -18.73 36.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.39 -21.55 58.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -82.51 175.7 9.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.04 161.38 15.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -52.4 -44.4 65.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.634 ' O ' HG23 ' A' ' 50' ' ' VAL . 2.6 tpm_? -58.68 -27.24 64.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.3 -39.25 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.435 HD12 ' HB3' ' A' ' 36' ' ' TYR . 45.9 mm -58.68 -44.04 88.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.3 m -63.84 -41.04 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 46' ' ' ARG . 94.7 t -64.78 -52.56 52.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.079 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.23 -28.96 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.655 HD13 ' HA ' ' A' ' 29' ' ' ALA . 14.8 mt -67.79 -48.14 67.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.47 -49.12 53.33 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -51.81 -43.54 63.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.748 0.309 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.2 mmt180 -60.27 -35.02 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 55.5 t-105 -68.65 -25.04 64.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -86.19 -31.14 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.868 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.47 -32.5 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.918 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 29.8 mtm -54.26 173.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -100.08 -172.92 2.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -70.41 -45.46 65.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -71.51 -36.58 71.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.44 -25.34 59.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -97.45 -25.21 15.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' HG2' HD12 ' A' ' 69' ' ' LEU . 15.8 ttt-85 -52.07 -38.9 58.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.1 ptp -51.8 -32.68 32.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -95.9 -33.88 12.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.1 m -53.83 -63.01 1.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.111 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.428 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.3 mt -61.46 -45.61 93.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.495 ' HG2' HD21 ' A' ' 27' ' ' LEU . 8.2 tp10 -51.99 -60.23 3.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -26.38 65.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -62.74 -58.96 5.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.75 -39.95 62.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.3 mt -74.16 -25.87 59.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.78 -31.15 68.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -97.72 -41.54 8.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -56.05 -44.6 78.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -52.01 -31.35 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mtmp? -75.11 -43.11 54.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -62.68 -39.32 93.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 26.4 mt -71.51 -26.14 62.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -119.75 69.92 13.12 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -21.91 32.64 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.705 2.27 . . . . 0.0 112.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.16 -45.98 89.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 p -155.12 118.45 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -1.16 42.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.933 179.907 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -120.42 36.75 4.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 110.884 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -61.84 109.45 1.25 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.09 68.03 0.29 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -97.58 152.25 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.8 p -95.09 164.5 12.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.18 79.36 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.472 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -159.66 144.85 10.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 6.7 t -152.41 153.94 34.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.162 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 29.2 m -58.76 -178.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.167 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.7 p -93.38 115.29 27.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -121.46 127.61 51.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.145 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.02 70.86 7.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.171 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.5 t -175.38 68.55 0.26 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.675 0.75 . . . . 0.0 110.846 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 82.79 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -156.6 149.51 23.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 tttp 58.4 40.06 24.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.2 m -149.92 135.51 18.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -118.94 99.67 6.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -110.2 160.58 27.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.586 0.708 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 168.93 20.12 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 1.2 ptp -107.12 93.61 4.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.67 -169.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' ' 68' ' ' THR . . . -61.4 -49.11 78.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -56.49 -41.32 76.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.93 -46.2 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tp -61.44 -35.09 76.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -70.08 -62.07 1.53 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.08 -28.51 52.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -76.41 -58.11 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -57.69 -25.97 61.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -108.54 9.03 27.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.9 tpt85 -61.82 -64.64 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.08 -34.19 68.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -57.79 -29.37 64.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.644 ' HB3' HG23 ' A' ' 48' ' ' ILE . 6.2 m-85 -93.35 -29.57 15.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 2.9 m -61.53 -39.6 91.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -85.15 -28.84 25.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.1 mtm -73.13 -35.67 66.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.91 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -129.75 70.99 82.21 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.709 0.766 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -29.26 24.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.83 -25.22 76.12 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -87.27 157.26 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -88.13 160.34 17.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.41 -40.26 61.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 50' ' ' VAL . 11.5 tpp85 -57.4 -32.13 66.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.66 -41.38 31.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG23 ' HB3' ' A' ' 36' ' ' TYR . 50.4 mm -51.79 -48.05 38.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -48.79 78.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 46' ' ' ARG . 89.8 t -54.36 -49.3 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 53.6 mt -66.91 -26.04 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.4 mt -73.0 -44.0 61.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.99 -44.32 92.88 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -51.87 -50.5 60.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.816 0.341 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -59.52 -33.43 71.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -72.08 -25.54 61.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -88.12 -30.28 19.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 -28.18 61.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 36.5 mtm -60.52 176.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -101.51 -172.53 2.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -68.41 -50.8 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -66.6 -38.1 86.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -55.74 -26.06 43.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 -98.95 -25.55 14.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.509 ' HG2' HD23 ' A' ' 69' ' ' LEU . 55.2 ttt180 -51.9 -38.78 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.6 ptp -51.97 -32.18 32.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -95.86 -36.86 10.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.491 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . 0.6 OUTLIER -54.0 -51.85 62.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.166 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD23 ' HG2' ' A' ' 65' ' ' ARG . 4.4 mm? -70.23 -47.85 59.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -52.17 -57.42 9.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.77 -39.68 59.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.7 ttpp -59.96 -57.55 12.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.89 -39.94 66.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.0 mt -72.92 -25.86 61.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.09 -25.1 58.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -97.25 -42.75 7.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -56.26 -45.97 79.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -53.33 -28.56 29.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -67.73 -33.69 75.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 -74.6 -34.01 62.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.48 -54.99 7.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.08 74.38 3.68 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -49.01 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.649 2.233 . . . . 0.0 112.329 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 50.6 38.75 19.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.1 t -127.11 148.17 50.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -80.95 -1.2 42.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 p -89.91 111.7 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -104.94 152.84 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.51 132.19 4.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.502 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 m -150.22 174.65 12.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.368 . . . . 0.0 110.886 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.7 m -135.45 177.75 7.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.05 -169.86 40.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.475 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.08 -117.62 0.83 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.6 m -78.98 102.11 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 111.158 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -111.68 130.07 65.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.0 p -132.76 147.95 52.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -164.47 170.79 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -107.24 -53.63 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.65 160.58 81.84 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.707 0.765 . . . . 0.0 110.831 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 167.61 23.9 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.734 2.29 . . . . 0.0 112.347 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -156.63 139.85 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -100.78 58.62 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 t -121.56 148.71 44.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.8 104.69 13.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.37 160.62 25.6 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 178.06 4.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.62 2.213 . . . . 0.0 112.337 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.5 mtp -77.78 97.8 5.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.581 ' ND2' ' H ' ' A' ' 26' ' ' MET . 1.9 p-10 -57.33 -179.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.22 -55.75 28.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -51.95 -45.76 64.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.581 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 0.6 OUTLIER -51.76 -48.13 63.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.5 -25.88 68.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -80.44 -60.57 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -29.91 63.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -73.61 -58.17 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.3 ttpt -59.93 -21.46 61.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -109.07 9.13 26.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -69.03 -45.94 69.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -72.08 -30.42 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.167 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -51.92 -37.6 53.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.417 ' HB2' HG23 ' A' ' 48' ' ' ILE . 54.4 m-85 -94.87 -21.06 18.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -62.27 -29.09 70.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.139 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -103.96 -28.43 11.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.8 mtm -76.51 -26.15 54.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -132.86 69.7 79.08 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -16.31 37.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.681 2.254 . . . . 0.0 112.361 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -82.34 -19.99 63.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -89.77 156.74 18.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -84.85 153.73 22.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -52.69 -34.11 50.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.1 ttp180 -65.67 -33.82 76.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.69 -38.02 62.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.417 HG23 ' HB2' ' A' ' 36' ' ' TYR . 44.5 mm -51.25 -52.28 19.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.2 m -53.5 -44.13 68.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.3 -36.52 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.9 mt -68.77 -39.94 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 48' ' ' ILE . 4.2 mm? -54.22 -50.64 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.25 -48.51 47.19 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.491 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -51.72 -42.04 61.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -65.55 -39.85 92.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 41.4 t-105 -64.72 -22.03 66.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -81.49 -29.96 33.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.865 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.04 -31.99 19.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.0 mtm -52.13 154.17 2.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.851 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.25 179.31 7.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -70.31 -30.38 67.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -82.3 -37.67 25.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -58.31 -22.99 55.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.8 mtm180 -95.97 -24.42 16.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.484 ' HG2' HD12 ' A' ' 69' ' ' LEU . 31.8 ttt180 -52.0 -39.04 58.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.6 ptp -51.8 -32.55 31.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -95.95 -29.98 13.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.56 -64.0 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD12 ' HG2' ' A' ' 65' ' ' ARG . 9.2 mt -62.14 -42.45 99.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -58.42 -62.18 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.02 -27.49 32.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.9 ttpm? -64.27 -53.06 54.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.36 -30.05 71.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.122 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.9 mp -73.52 -49.39 26.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -53.08 -30.98 39.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.13 -30.26 15.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -66.77 -28.41 68.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -81.33 -23.76 37.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -78.39 -38.4 41.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -21.05 66.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.4 mt -91.05 -34.2 15.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.13 68.37 9.34 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -31.69 19.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.309 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -76.91 76.81 3.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.9 m -118.43 167.76 11.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.3 m0 -65.78 -30.83 71.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 24.8 tttt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.916 179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t 61.65 47.44 6.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.5 p -141.99 110.15 5.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.827 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.49 -65.87 0.16 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.555 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 t -106.22 111.84 24.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.858 0.361 . . . . 0.0 110.866 -179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.9 m -88.6 110.47 20.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.16 99.93 0.6 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.51 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.18 43.0 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.498 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -70.04 173.28 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.137 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 30.8 m -124.87 150.83 30.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 m -80.08 -175.56 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.67 55.08 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.111 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.1 p -79.73 87.0 5.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -167.7 72.14 0.94 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.676 0.75 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 96.59 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.268 . . . . 0.0 112.34 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -118.64 163.84 16.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -78.93 -47.32 16.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 t -62.33 155.13 25.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -62.07 179.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -123.36 157.55 61.23 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.641 0.734 . . . . 0.0 110.803 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 115.55 4.15 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.632 2.222 . . . . 0.0 112.359 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.48 100.22 1.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -69.62 -175.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.8 -51.1 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -57.31 -41.7 80.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -51.99 -44.74 64.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 HD23 ' HD1' ' A' ' 67' ' ' TYR . 8.1 tp -60.98 -31.37 70.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -75.4 -60.68 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -55.06 -28.75 54.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -78.46 -57.02 3.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -58.04 -26.11 62.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -109.04 8.98 26.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -67.28 0.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.5 p -63.57 -31.05 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -52.49 -36.59 55.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -94.95 -26.1 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.908 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.4 m -60.2 -30.23 69.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.117 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -95.87 -28.01 14.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.3 mtm -75.45 -29.53 59.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -132.53 70.28 79.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.689 0.757 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -25.32 28.96 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.689 2.26 . . . . 0.0 112.362 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.12 -26.4 64.27 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -82.45 157.62 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.784 0.325 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -90.76 160.01 16.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -52.35 -43.68 64.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 50' ' ' VAL . 13.6 tpp180 -55.28 -30.63 60.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.55 -44.25 16.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.071 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 45.3 mm -51.87 -46.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.65 -43.45 97.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 46' ' ' ARG . 57.4 t -60.09 -41.09 85.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.112 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.3 mt -70.92 -28.89 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 29' ' ' ALA . 16.0 mt -68.3 -47.96 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -53.68 -47.61 63.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.474 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -51.94 -42.88 63.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -63.09 -34.55 77.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 35.1 t-105 -69.01 -25.77 64.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -81.01 -25.98 36.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -77.15 -35.41 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 39.1 mtm -55.79 173.91 0.13 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 mttm -103.41 -178.61 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -66.08 -35.16 79.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -78.75 -40.14 34.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -57.82 -25.55 60.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -96.51 -24.57 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.613 ' HG2' HD12 ' A' ' 69' ' ' LEU . 41.1 ttt180 -52.05 -38.68 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.2 ptp -51.97 -32.54 33.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.512 ' HD1' HD23 ' A' ' 27' ' ' LEU . 23.5 m-85 -95.91 -33.23 12.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.3 m -56.75 -63.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' HG2' ' A' ' 65' ' ' ARG . 10.4 mt -63.37 -43.62 97.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -54.07 -58.58 6.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.44 -26.56 67.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.083 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -62.96 -58.99 5.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.82 -39.79 62.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.5 mt -74.3 -25.97 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.46 -32.22 66.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.101 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.62 -29.62 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -67.06 -24.63 66.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -76.23 -24.53 54.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -76.61 -43.82 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -19.45 60.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.6 mt -83.9 -33.21 24.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -124.57 70.88 57.09 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.636 0.732 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -22.97 31.24 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.371 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -98.09 74.53 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.6 t -107.64 -58.59 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -1.11 42.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 40.7 mttm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.894 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -137.93 148.38 45.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.93 0.395 . . . . 0.0 110.842 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 p -76.0 134.26 40.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 117.5 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.463 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.83 129.13 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -77.43 157.79 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.0 48.28 0.95 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.82 -96.22 2.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.9 p -137.21 163.96 29.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.347 . . . . 0.0 111.157 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 43.9 t -109.46 132.11 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.3 t -102.6 73.22 1.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -103.75 106.36 16.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.3 p -96.92 124.63 40.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.76 160.64 0.12 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.662 0.744 . . . . 0.0 110.892 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 121.48 8.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.647 2.232 . . . . 0.0 112.312 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -82.24 123.63 29.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -91.65 127.94 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.9 p -120.59 159.76 24.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -118.31 107.19 13.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -177.67 157.56 1.2 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.868 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 129.42 17.57 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.2 ptm -115.47 103.62 10.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -60.44 -175.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.89 -42.48 76.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -56.26 -44.49 79.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.9 mtt -51.96 -42.83 63.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.538 HD23 ' HA ' ' A' ' 67' ' ' TYR . 17.2 tp -67.66 -30.56 70.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -73.0 -62.05 1.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -53.71 -35.73 61.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.6 tttm -70.16 -58.32 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt -57.91 -26.21 61.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.66 9.01 37.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.947 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.4 ttt-85 -68.31 -71.6 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.7 p -54.56 -30.53 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.084 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -63.68 -33.02 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -94.88 -26.86 15.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.2 m -61.47 -33.35 73.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -95.52 -28.29 14.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.2 mtm -73.39 -36.48 66.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -124.38 69.98 53.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.709 0.766 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -24.6 29.53 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.383 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.87 -24.01 68.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -86.75 159.24 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 110.87 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -92.59 159.78 15.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -53.79 -28.77 36.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' O ' HG23 ' A' ' 50' ' ' VAL . 6.6 tpt180 -66.48 -31.9 72.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.54 -35.79 29.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 47.6 mm -51.83 -50.79 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.99 -48.01 83.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 46' ' ' ARG . 66.1 t -53.12 -45.55 53.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 65.2 mt -71.16 -33.21 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.144 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 29' ' ' ALA . 19.1 mt -64.19 -50.46 68.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.956 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.23 -48.83 52.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -51.95 -44.63 64.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 110.889 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.22 -36.17 79.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.419 ' HA ' ' HE2' ' A' ' 59' ' ' MET . 43.6 t-105 -68.61 -25.79 65.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -85.9 -31.06 22.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.45 -31.28 42.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.915 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.419 ' HE2' ' HA ' ' A' ' 56' ' ' TRP . 21.8 mtm -55.48 174.86 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 46.0 mttt -99.85 -170.32 1.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -71.81 -49.63 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -67.78 -35.47 78.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -59.01 -23.81 62.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -103.53 -24.73 13.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -51.78 -39.12 58.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 12.7 ptp -51.5 -35.41 40.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.538 ' HA ' HD23 ' A' ' 27' ' ' LEU . 17.7 m-85 -93.81 -27.35 16.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.3 m -58.45 -65.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.1 mp -63.9 -45.89 87.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 -51.98 -57.4 9.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.54 -30.35 67.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.2 ttpp -61.15 -56.37 21.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.69 -34.21 37.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.09 -40.72 78.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.04 -31.11 69.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -85.04 -22.3 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.504 ' O ' HD23 ' A' ' 81' ' ' LEU . 6.2 tt0 -90.34 -21.51 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -81.81 -25.44 35.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -75.5 -31.18 60.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -19.03 59.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 77' ' ' GLU . 2.1 mm? -74.22 -37.39 63.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -138.92 73.39 39.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.644 0.735 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -29.11 24.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -55.45 -29.37 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.3 m -69.1 -42.78 75.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -104.88 67.81 0.81 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.56 -0.216 . . . . 0.0 112.56 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -114.45 121.99 45.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.853 0.359 . . . . 0.0 110.874 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -127.9 158.38 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 108.49 114.84 3.8 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 m -130.3 -74.3 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.845 0.355 . . . . 0.0 110.827 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 p -127.57 128.53 45.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.78 78.51 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -170.41 -38.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.2 p -94.72 85.18 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.815 0.34 . . . . 0.0 111.122 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.88 105.41 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.177 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -82.61 115.54 21.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.59 92.0 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.0 p -55.06 -32.88 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.82 160.3 83.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.654 0.74 . . . . 0.0 110.843 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 143.99 52.61 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -84.13 -27.11 28.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -81.46 93.45 6.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.1 m -150.27 170.79 18.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -75.28 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.97 160.57 0.12 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.636 0.731 . . . . 0.0 110.856 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -175.94 1.32 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.688 2.259 . . . . 0.0 112.319 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.47 ' O ' ' HB1' ' A' ' 71' ' ' ALA . 7.3 mtp -71.77 90.74 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -66.18 162.47 19.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -58.6 -40.9 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 1.1 mmt -52.1 -45.9 65.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.0 tp -60.76 -28.37 68.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -80.09 -59.28 2.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.624 ' HA ' HD13 ' A' ' 52' ' ' LEU . . . -53.56 -29.81 38.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -80.94 -56.49 4.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.2 ttmm -57.08 -26.26 60.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -105.08 9.05 34.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.06 -71.69 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.37 -30.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -61.57 -35.86 79.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.726 ' HB3' HD12 ' A' ' 48' ' ' ILE . 7.2 m-85 -94.89 -26.68 16.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 7.3 m -60.19 -31.02 69.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.118 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -97.81 -30.51 12.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 10.2 mtm -73.19 -26.75 61.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.416 ' HB2' HD11 ' A' ' 48' ' ' ILE . 50.2 m-85 -133.65 71.64 74.84 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.653 0.74 . . . . 0.0 110.919 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -44.71 1.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.05 -22.87 44.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -91.79 162.89 14.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.772 0.32 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.22 168.19 9.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.914 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -51.93 -39.03 58.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.604 ' O ' HG23 ' A' ' 50' ' ' VAL . 37.1 ttp180 -52.68 -34.36 51.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.51 -43.99 16.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.095 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.726 HD12 ' HB3' ' A' ' 36' ' ' TYR . 45.2 mm -55.53 -47.67 78.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 33.0 m -58.85 -43.57 90.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 46' ' ' ARG . 97.7 t -65.24 -56.44 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.132 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.9 mt -54.92 -28.88 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.155 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.624 HD13 ' HA ' ' A' ' 29' ' ' ALA . 15.5 mt -67.89 -47.51 68.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.11 -49.59 49.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.489 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -51.8 -45.34 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.326 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -60.48 -35.8 76.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -67.94 -20.46 65.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -88.39 -31.28 18.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.04 -35.55 56.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 28.3 mtm -52.73 163.98 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -94.79 169.51 10.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -53.31 -44.78 68.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.16 -40.65 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.91 -25.78 61.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.8 mtm105 -99.17 -26.19 14.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' CG ' HD12 ' A' ' 69' ' ' LEU . 37.5 ttt-85 -52.02 -38.53 57.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.5 ptp -52.04 -32.74 35.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -95.92 -30.09 13.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 m -60.26 -63.66 1.22 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD23 ' HE2' ' A' ' 72' ' ' LYS . 10.1 mt -63.22 -39.7 95.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -60.01 -63.06 1.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 22' ' ' MET . . . -59.77 -27.89 66.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.491 ' HE2' HD23 ' A' ' 69' ' ' LEU . 24.5 ttpt -62.81 -56.56 16.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.961 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.98 -39.63 69.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.8 mt -73.95 -25.51 60.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -69.04 -28.75 66.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -101.76 -32.86 10.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -64.15 -23.4 67.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -78.61 -15.67 58.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.923 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.3 mttm -87.74 -49.31 7.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.9 ptt180 -57.39 -28.55 63.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 mt -75.12 -48.42 23.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -128.16 70.61 78.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.657 0.741 . . . . 0.0 110.932 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -17.2 37.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.386 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -110.54 55.1 0.65 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 31.2 p -76.11 178.7 6.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 34.1 m0 -64.44 -42.73 95.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 tptp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.93 . . . . . . . . 0 0 . 1 stop_ save_