data_5gqs_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 5gqs _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 73.42 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -117.89 115.36 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -97.0 104.69 16.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.8 t -108.52 120.7 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.093 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.03 172.65 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.899 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.25 109.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 74.23 111.08 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.72 109.22 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.45 111.1 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.4 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 75.42 110.903 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.906 0.384 . . . . 64.24 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -88.13 -58.01 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.01 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.48 -48.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.28 -61.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.17 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.03 -58.43 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -51.32 -32.59 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 64.02 110.891 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.8 -61.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 65.01 111.085 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -51.38 -53.72 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 70.32 111.115 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -51.13 -33.03 24.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.864 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -73.1 -37.0 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.928 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 mmt -74.34 -49.6 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 64.51 110.828 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.35 -37.92 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 74.51 111.079 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -49.71 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 71.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.09 -36.79 71.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -77.98 -26.4 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.31 110.851 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.42 46.61 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.914 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.39 149.23 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 74.33 111.117 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -75.52 70.51 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.931 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 p -124.07 143.77 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -129.03 121.44 27.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 63.13 110.855 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.6 mt -79.75 143.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 64.14 111.15 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -126.71 141.74 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.931 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -121.31 122.6 40.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.34 110.915 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.01 172.2 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 73.52 111.155 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -82.85 162.43 21.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 75.01 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 tp -54.65 -37.21 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.147 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.7 p -94.55 28.33 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.32 111.118 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -119.77 -20.94 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 64.01 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.6 p -66.91 -25.24 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 62.45 111.159 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.67 -67.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 74.22 112.51 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -22.25 32.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 72.24 112.354 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -92.29 37.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.918 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -96.85 -35.49 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.42 110.853 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -76.59 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.71 -43.44 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.171 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.71 167.29 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 65.54 111.128 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -120.37 -51.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -121.05 152.32 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.943 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 tp -137.62 143.83 41.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.923 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.8 t -136.98 127.01 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.35 111.115 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -144.17 152.13 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 74.22 111.17 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -80.12 -41.2 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.142 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.097 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.905 0.384 . . . . 72.14 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -111.6 37.31 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 75.52 110.917 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.65 158.04 16.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 74.44 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 75.12 112.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.04 144.06 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.13 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 mm -122.41 114.29 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 74.13 111.179 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -51.98 141.81 17.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 54.1 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.05 35.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 111.091 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -72.83 -34.53 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.91 -30.53 71.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.887 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -89.45 45.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 73.15 110.907 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.439 -0.264 . . . . 73.22 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.64 -47.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 73.14 111.161 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -51.55 -35.57 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -55.98 -68.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.852 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -61.94 -39.06 90.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 64.42 111.131 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -51.2 -38.46 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.906 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.92 -35.3 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.23 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -71.92 -52.12 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.952 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.35 -35.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 55.04 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.47 -27.77 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.9 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.7 m -51.01 -34.13 27.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 74.34 111.129 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.24 -36.87 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.937 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.2 mt -53.11 -52.51 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.32 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -116.32 33.8 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 60.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 64.22 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -100.47 166.68 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -142.54 108.55 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.935 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.1 t -114.2 102.68 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.17 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.65 173.94 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.908 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.26 109.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.23 111.155 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.63 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 74.54 111.072 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.87 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 72.21 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.45 -42.69 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 70.43 111.174 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.85 -46.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.41 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 t -55.8 -66.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.117 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -51.76 -53.52 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -53.36 -34.72 58.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -46.46 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.52 111.1 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.6 mm -63.51 -52.99 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.182 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -51.42 -34.75 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.937 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -64.16 -36.08 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 75.44 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.3 mmt -82.58 -46.35 13.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.53 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.18 -37.27 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.21 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -61.3 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 64.21 110.865 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.37 -38.49 68.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 64.43 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -80.38 -28.57 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.874 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.16 45.2 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 73.51 110.838 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mt -96.35 149.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.108 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -75.94 66.86 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.25 140.93 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 74.34 111.153 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.35 98.06 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.859 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.5 124.29 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.145 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -122.62 154.72 37.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.91 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -142.57 123.77 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.13 177.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.147 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -84.51 157.97 21.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.867 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.9 mm -51.15 -30.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.129 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -84.86 -31.92 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.21 111.173 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.93 -30.52 66.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 62.44 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.21 -16.03 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.173 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.01 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 53.41 112.521 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -17.31 37.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 70.33 112.312 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -93.25 37.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.884 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -91.86 -37.44 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.862 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.0 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 63.3 110.815 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -51.62 -60.27 3.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.12 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.11 127.62 33.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.12 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -64.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.97 168.07 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.974 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 tp -152.06 146.3 25.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.3 t -132.45 127.28 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.164 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 164.71 27.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.24 111.174 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 p -134.4 34.65 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.126 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.35 111.104 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.944 0.402 . . . . 73.34 110.949 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -118.33 33.65 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.52 110.939 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.07 160.32 16.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 75.24 110.923 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 80.51 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.719 2.279 . . . . 74.5 112.336 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.85 145.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.42 111.118 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.57 139.35 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.127 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -80.6 126.39 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.24 111.114 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -66.0 -35.78 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.909 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -59.0 -39.32 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -55.58 -35.76 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 70.53 110.894 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 71.25 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.2 mt -56.4 -34.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 75.41 111.104 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.3 -36.5 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.19 -38.86 56.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.904 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -67.75 -57.87 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 55.13 111.137 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -51.69 -35.48 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 64.34 110.912 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.97 -34.3 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.951 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -80.54 -45.61 17.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mt -59.91 -54.24 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.55 111.091 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.78 -29.98 21.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.952 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 m -49.53 -30.5 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.151 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -119.88 -29.63 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 71.31 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -45.69 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.906 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -116.59 -41.85 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.855 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.857 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.341 . . . . 74.41 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -120.05 67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.92 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -54.87 108.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.97 134.29 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.1 111.137 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.3 mt -97.19 169.22 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 71.34 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -150.54 85.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.85 114.39 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.085 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.892 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 75.12 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.62 -46.64 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.175 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.6 t -51.75 -45.17 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 74.3 111.177 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.9 t -56.16 -68.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 73.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -51.47 -44.28 62.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -56.02 -29.83 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 71.53 110.889 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.85 -52.57 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.52 111.086 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.5 -33.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -73.2 -24.75 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.884 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.47 -38.74 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.85 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -37.05 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.823 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.38 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.42 111.071 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.48 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.928 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -72.56 -35.82 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 63.52 110.878 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.18 -27.87 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.788 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.93 45.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.888 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.3 mt -99.64 157.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.53 111.137 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -76.71 60.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.907 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.62 133.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 63.24 111.124 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.1 94.48 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.846 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.56 138.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 74.32 111.085 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -148.96 143.21 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.31 110.905 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -126.09 126.19 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.72 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 72.21 111.114 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -74.71 156.61 36.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.902 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 mm -49.23 -34.3 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.164 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -69.6 -38.1 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.175 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.11 -29.12 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.6 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.24 111.103 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 70.52 112.497 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.41 30.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 73.05 112.375 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -93.05 34.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.31 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.46 -38.05 13.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.33 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 74.35 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -52.05 -51.13 59.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 61.45 111.136 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.46 134.41 53.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.2 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.98 -62.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.79 147.65 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.922 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.0 tp -140.19 132.82 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.925 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.7 t -119.76 114.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.44 111.101 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 t -128.46 144.93 51.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 61.32 111.141 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.6 p -78.11 -35.75 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 62.12 111.092 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.954 0.407 . . . . 75.33 110.913 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -98.57 38.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.1 110.892 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.28 158.14 6.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 63.5 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 74.44 112.37 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.2 t -57.08 145.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.117 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.21 115.65 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.121 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -52.05 138.03 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.896 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.78 35.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 43.25 111.09 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -71.95 -36.99 70.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.44 -33.47 71.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.905 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -90.61 45.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.871 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.476 -0.25 . . . . 43.33 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.7 mt -105.33 -41.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 75.44 111.185 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -51.6 -33.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.99 -63.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 70.53 111.144 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 71.34 110.948 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.07 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -68.09 -49.07 63.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mt -68.67 -48.5 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.091 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.88 -32.07 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.5 m -49.52 -31.54 10.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.147 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.36 -31.61 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.835 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.21 -44.44 53.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.935 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -122.27 -35.0 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.35 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.21 110.91 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.855 0.359 . . . . 74.43 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -104.16 87.47 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.904 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.45 127.76 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.02 139.17 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.154 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.9 mt -95.62 174.28 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.953 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.9 109.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.23 111.16 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.88 -179.86 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.53 111.065 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.892 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.927 0.394 . . . . 55.43 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.4 -42.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.43 111.156 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.4 -42.37 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.138 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.07 -59.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.129 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.48 -44.01 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.877 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.61 -31.91 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.51 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -55.66 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.081 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.3 mm -55.79 -49.16 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 71.43 111.127 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -51.08 -33.03 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.07 -39.55 55.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 74.13 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmt -68.59 -47.91 65.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 75.23 110.9 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.16 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.52 111.072 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -64.08 -37.52 87.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.941 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.68 -35.55 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 63.2 110.871 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.63 -30.06 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.854 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 65.14 43.31 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -96.91 150.44 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.109 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -76.06 67.36 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.1 110.861 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.47 143.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 73.02 111.139 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -120.52 126.34 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 75.55 110.896 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -91.35 145.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.127 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -140.61 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.926 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -113.17 128.61 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.2 173.09 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -83.06 162.01 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.41 110.877 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 tp -54.02 -37.91 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -95.16 29.6 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 75.33 111.164 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -120.28 -21.56 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 p -68.02 -24.03 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 71.42 111.148 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -67.35 1.37 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 71.14 112.471 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -21.46 33.86 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 74.5 112.351 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -92.1 38.07 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 73.45 110.923 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -95.41 -35.45 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.863 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -75.43 -65.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.44 -43.29 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 65.43 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.25 147.27 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.45 111.118 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.03 -58.75 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 74.34 110.906 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.23 156.07 18.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 72.35 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 tp -143.11 135.58 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.923 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -120.09 127.28 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.22 111.118 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -156.39 141.37 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 64.35 111.161 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -93.94 40.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.42 111.139 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 61.44 111.056 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.972 0.415 . . . . 75.34 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -104.68 35.79 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 73.31 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.15 157.82 11.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 75.13 110.863 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 65.35 112.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.6 t -51.85 147.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 75.43 111.162 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 mm -125.85 143.68 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.24 111.138 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -92.89 134.19 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.933 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.08 35.24 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.24 111.089 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -56.52 -35.67 68.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.869 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -74.31 -33.88 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -63.23 -28.0 69.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.45 110.918 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 74.55 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.445 -0.262 . . . . 74.32 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 mt -125.89 27.43 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 74.54 111.173 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -123.19 -35.77 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.09 -34.01 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.83 -43.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.113 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.16 -48.81 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 64.51 110.859 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -51.8 -45.58 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 65.04 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.61 -47.64 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.11 -52.8 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.13 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.4 tp -51.37 -27.27 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.895 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.6 m -48.51 -34.61 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.41 111.152 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.37 -34.37 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.8 mt -51.88 -47.71 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.866 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -121.6 33.29 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.876 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.919 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 70.34 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -134.17 117.3 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -98.07 116.53 30.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.9 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -131.31 121.3 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 65.04 111.079 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.25 -176.78 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.918 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.8 t -150.16 109.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.115 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.95 115.06 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 61.53 111.089 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.31 110.889 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.908 0.385 . . . . 73.41 110.831 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 -55.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.31 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -54.6 -58.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 73.42 111.106 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.5 t -51.71 -60.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.55 111.133 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.03 -57.18 9.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.35 -34.25 33.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.16 63.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.15 111.092 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mm -67.74 -52.67 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.15 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -51.31 -34.95 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.924 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -72.26 -43.44 64.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.5 mtt -65.94 -50.45 64.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.34 39.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 70.25 111.134 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -63.85 -43.68 95.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -59.24 -35.95 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -82.88 -29.69 29.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 65.21 45.45 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 71.2 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 mt -96.98 150.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.111 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.42 66.41 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.915 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.76 135.36 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.13 111.166 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -99.38 -178.29 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -144.75 111.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.151 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -99.98 152.2 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.885 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.86 107.65 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 53.23 110.894 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.35 174.35 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 72.45 111.121 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 163.44 13.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 73.54 110.929 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 tp -52.94 -29.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.52 111.127 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.9 -27.42 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.174 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.04 26.83 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.882 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.4 p -120.88 22.51 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.132 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.6 -67.2 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 65.42 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.64 35.84 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.266 . . . . 64.31 112.33 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -92.9 37.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.915 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.44 -47.47 3.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 75.14 110.844 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.13 -41.0 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 65.05 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -54.34 -57.42 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.116 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.8 179.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 74.25 111.08 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -116.52 -41.39 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -135.47 169.06 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.4 tp -157.01 115.9 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.897 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.91 121.22 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.179 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -146.27 156.82 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.124 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 t -116.61 -33.05 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.121 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 75.3 111.115 179.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.935 0.398 . . . . 75.41 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -98.86 36.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 75.24 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -164.41 157.92 15.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 74.44 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 79.92 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 73.41 112.357 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.0 t -51.6 146.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 64.31 111.118 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mm -119.27 105.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.45 111.159 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -55.69 126.13 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.931 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.32 37.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.089 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -62.28 -38.29 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.15 -37.99 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -60.4 -35.97 77.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.901 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.904 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.518 -0.233 . . . . 74.42 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.96 -35.06 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 64.31 111.131 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.83 -35.74 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -79.41 -41.99 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 73.24 110.919 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 m -61.42 -51.53 68.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.122 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -51.81 -34.91 42.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.888 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -34.26 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.928 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.98 -49.84 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.32 -45.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.13 111.122 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 11.8 tp -56.99 -21.28 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.918 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.2 m -61.98 -16.05 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 73.25 111.15 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.05 -33.99 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.3 110.906 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 59.7 mt -49.96 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -93.28 33.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.92 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.882 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 73.43 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -109.39 87.31 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.72 104.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.04 112.47 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 71.53 111.183 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.36 173.74 11.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.883 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.7 t -149.33 115.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 75.34 111.165 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -136.05 78.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.098 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.871 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.989 0.424 . . . . 71.44 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 m -122.21 -64.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 74.32 111.085 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -50.38 -41.77 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.85 -55.37 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 70.23 111.154 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.61 -55.36 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -52.17 -29.27 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 73.44 110.845 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.37 -61.11 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 60.34 111.099 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.6 mm -52.48 -49.07 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.156 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -50.8 -33.16 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.67 -37.24 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 73.12 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -70.75 -54.17 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.5 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.51 111.062 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.49 -44.72 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.53 110.893 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.24 -35.67 67.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.56 -28.0 25.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 65.63 49.73 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 63.55 110.827 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.82 158.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.105 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 75.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.42 110.882 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.52 129.18 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.139 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -114.23 76.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.855 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -51.81 142.59 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.139 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.18 146.2 29.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 75.12 110.921 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.33 127.9 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 71.43 110.912 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.0 -176.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.145 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -79.22 153.57 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.911 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.6 tp -50.01 -30.56 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.129 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.2 p -86.63 -32.57 20.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.52 111.095 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -56.79 -27.09 59.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 73.52 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.46 -27.47 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.57 -68.15 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 54.43 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -22.86 31.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 75.24 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -92.95 35.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.879 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.18 -40.69 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.98 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.845 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -51.82 -46.65 64.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 64.41 111.161 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.13 148.81 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.118 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -103.75 -58.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 70.35 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.16 157.93 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.916 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.8 tp -152.77 134.35 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.28 119.77 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.14 111.13 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -147.42 131.0 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.2 111.151 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -70.82 -42.63 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 64.52 111.16 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 63.23 111.084 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.967 0.413 . . . . 75.11 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -103.62 35.89 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.53 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -172.49 158.26 3.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 72.33 110.859 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.276 . . . . 73.3 112.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.0 146.69 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.125 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.154 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -76.79 140.54 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -105.83 35.19 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.094 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -58.29 -35.78 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -67.26 -17.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 65.23 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -91.14 37.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 74.01 110.888 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.243 . . . . 75.44 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 98.8 mt -68.89 -35.47 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 72.54 111.128 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.12 -35.54 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.33 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -51.67 -36.12 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -99.54 -35.15 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 74.34 111.163 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -51.71 -35.92 44.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.919 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -59.87 -46.0 90.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -56.19 -51.54 67.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.92 -50.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.154 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -52.35 -41.7 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.897 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.0 m -54.53 -25.92 28.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.137 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -99.5 -38.41 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -51.03 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 75.12 110.932 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -36.93 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.916 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.92 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.836 0.35 . . . . 71.33 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -122.43 81.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -61.51 101.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.1 t -109.32 141.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.2 mt -95.04 174.36 7.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.885 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -150.12 89.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 111.155 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.68 106.66 15.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.35 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.932 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 72.03 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -101.48 -41.07 6.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 75.21 111.176 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.1 t -52.38 -55.58 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.135 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -51.66 -62.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 70.24 111.168 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.29 -53.88 25.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.43 -26.36 53.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.44 -34.35 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.063 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.4 mm -76.48 -40.23 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.905 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.17 -34.95 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.8 -53.61 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.911 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.63 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 75.4 111.105 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -43.61 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 71.32 110.885 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.25 -35.71 74.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.57 -29.83 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.84 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 65.22 46.23 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.879 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.62 151.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 75.45 111.111 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.02 67.19 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 75.2 110.929 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.71 136.86 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.24 111.124 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.43 121.89 46.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.9 mt -83.1 145.97 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.22 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -147.24 134.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.912 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -119.16 130.61 55.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.25 178.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.123 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 164.45 15.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.885 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 tp -55.55 -32.45 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.126 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.8 p -95.01 28.34 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.173 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.97 -28.36 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.02 -25.18 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 75.54 111.158 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.42 1.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 51.23 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.4 33.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 74.11 112.323 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -92.05 37.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 72.13 110.935 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.15 -36.15 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.24 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.11 -52.65 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.848 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -62.83 -50.65 70.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.155 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.04 128.76 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.23 111.069 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.33 -64.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.03 170.71 7.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.923 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 tp -154.29 123.47 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.901 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.11 110.26 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.22 111.123 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -134.0 146.19 50.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 73.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.0 p -57.61 -47.84 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.32 111.165 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.087 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.967 0.413 . . . . 74.02 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -111.46 37.15 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 73.11 110.914 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 158.3 4.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 75.04 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.62 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 74.52 112.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.36 144.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.43 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.13 112.94 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.14 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -51.92 132.49 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.915 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.05 35.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 62.32 111.088 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -74.55 -35.2 63.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -55.17 -34.53 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 75.4 110.904 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -63.32 -20.24 65.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.873 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 71.2 110.919 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.445 -0.262 . . . . 73.51 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.8 mt -80.17 -34.05 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 52.34 111.139 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.9 -34.97 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 63.43 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -94.29 -51.6 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -51.33 -47.89 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 72.11 111.164 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -52.08 -34.03 41.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.884 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -59.29 -35.37 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -66.87 -48.75 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.73 -48.5 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 65.32 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.42 -32.53 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 73.4 110.896 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.5 m -49.61 -31.23 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -113.83 -31.38 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.844 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 tp -50.32 -44.52 54.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.914 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.96 -35.71 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 70.5 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.922 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 74.41 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -88.26 102.84 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.942 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -80.14 110.4 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.1 t -122.25 132.26 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.131 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.4 176.88 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -148.46 104.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.39 99.64 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.125 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.848 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.916 0.388 . . . . 73.44 110.823 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.55 -58.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 73.14 111.148 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.36 -43.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.169 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.68 -66.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 64.11 111.14 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -51.3 -45.12 62.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.855 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.37 -35.02 76.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -44.24 49.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.02 111.097 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.91 -52.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.07 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.42 -33.8 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.97 -36.2 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.45 110.86 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.87 -51.91 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -38.91 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.25 111.066 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -61.26 -48.02 83.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.34 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.19 -36.13 51.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.874 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -84.38 -25.14 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 66.08 51.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.51 110.889 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mt -112.77 148.35 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -73.67 74.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.879 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.8 t -107.28 119.52 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.24 111.146 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -89.56 107.57 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -89.35 124.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.151 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -125.12 163.21 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.928 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -146.07 106.45 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.931 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.96 175.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 73.22 111.101 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -97.45 163.69 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.865 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mp -53.5 -29.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.33 111.108 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -78.54 -28.7 46.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 75.14 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -101.38 28.62 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 73.52 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.0 p -118.28 21.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 71.32 111.152 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.2 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 73.32 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.66 35.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 71.35 112.334 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -93.42 36.75 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.909 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.04 -48.68 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.07 -35.86 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.902 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.6 p -62.41 -50.8 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 65.51 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.46 169.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.105 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.63 -35.85 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.9 132.31 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.52 110.912 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.9 tp -112.53 146.02 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.94 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.49 105.89 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.02 111.126 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 t -128.94 154.65 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.146 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -102.26 -36.13 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.13 111.099 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.926 0.393 . . . . 73.23 110.918 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -95.83 35.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.94 158.28 21.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.21 110.881 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 80.84 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 75.22 112.331 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.67 144.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.125 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.7 mm -120.31 111.94 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 73.3 111.139 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.83 128.81 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -106.31 35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.53 111.078 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.842 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -57.85 -41.11 81.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -54.49 -35.11 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.92 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.912 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.48 -0.248 . . . . 75.54 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.2 mt -57.27 -35.03 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.5 111.112 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -53.3 -34.9 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.894 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.81 -50.9 18.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 61.13 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.97 -59.42 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.23 111.144 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -51.84 -34.21 39.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.89 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.42 -35.37 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.34 -51.61 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.11 -37.27 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.136 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.98 -32.72 71.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.9 m -61.69 -26.04 67.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 74.22 111.164 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.45 -35.34 8.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.858 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -50.66 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 74.14 110.959 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -37.02 34.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 73.04 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -98.9 77.5 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.51 110.886 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -51.87 110.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.04 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.94 109.99 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 62.23 111.119 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.19 169.82 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.935 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.8 t -149.36 108.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.5 103.82 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 60.51 111.1 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.13 110.907 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.937 0.398 . . . . 73.25 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -78.15 -43.71 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.12 111.167 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.59 -49.6 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.093 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.9 t -51.04 -65.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 63.1 111.143 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -51.78 -47.01 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.872 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -51.21 -32.12 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 -46.62 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 72.33 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.31 -33.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.148 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.42 -22.34 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -80.85 -44.07 18.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.48 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.842 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.03 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.135 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -74.01 -36.26 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.1 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.99 -39.01 93.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -81.07 -26.2 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.848 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 65.96 48.84 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.62 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 73.25 111.118 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 75.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 75.51 110.888 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.33 124.85 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.12 111.105 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -110.21 75.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.5 mt -55.22 139.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 64.41 111.169 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.37 156.72 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.89 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -139.21 130.56 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.04 159.7 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 73.33 111.154 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -61.27 156.79 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 tp -50.23 -40.01 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.03 111.156 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -68.38 -33.28 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.52 111.125 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.89 -26.29 64.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.893 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.31 -26.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.136 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 63.42 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -23.39 30.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.657 2.238 . . . . 70.34 112.392 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.57 35.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -97.91 -43.71 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 63.04 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.71 -49.58 51.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 63.35 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -62.22 -50.34 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.4 111.114 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.26 146.24 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 73.05 111.09 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -49.85 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.99 108.14 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.41 110.886 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 tp -100.85 142.75 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.919 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -125.0 100.66 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.139 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -123.97 119.78 30.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.2 111.147 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 t -92.17 44.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 64.04 111.169 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 62.44 111.083 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.943 0.401 . . . . 74.04 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -96.34 35.71 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.918 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.21 158.32 10.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 72.43 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 65.24 112.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.3 t -50.62 134.83 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.52 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.6 mt -117.28 105.22 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 70.14 111.114 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.26 133.64 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.1 39.64 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 71.25 111.045 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -52.51 -38.29 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 73.45 110.836 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -61.1 -36.37 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.904 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -65.62 -35.73 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.946 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.483 -0.247 . . . . 65.11 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.8 mt -50.9 -43.07 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 72.1 111.095 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.58 -38.58 55.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.91 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.88 -60.46 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.878 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -40.76 86.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 71.32 111.14 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -35.37 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.897 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -55.39 -35.05 64.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -84.51 -51.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.86 -53.24 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.158 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.84 -34.44 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 m -53.09 -29.96 33.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 71.34 111.179 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -131.98 31.4 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 73.51 110.893 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.26 -34.83 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.936 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -119.71 -28.89 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.926 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.874 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 74.1 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -132.04 91.88 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -74.93 121.81 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.903 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -123.11 142.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.167 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.87 169.63 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 70.54 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.43 101.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.149 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.52 99.26 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.103 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 73.12 110.906 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.929 0.395 . . . . 64.45 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.78 -50.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 72.31 111.127 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.38 -53.7 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -51.61 -65.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.19 -53.64 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.872 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.19 -32.82 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 63.04 110.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.54 -38.8 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.52 -34.13 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 70.42 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.95 -32.77 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.41 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.31 -35.88 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.889 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 ptm -87.29 -40.62 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 65.24 110.842 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.94 -45.55 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 74.55 111.106 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -58.57 -37.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.5 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.06 -41.03 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -74.2 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 71.32 110.877 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.6 42.37 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.867 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 mt -98.04 150.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.54 111.105 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.98 61.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.866 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.22 121.76 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 54.12 111.107 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.85 133.22 52.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.831 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -89.09 145.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.51 111.128 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.32 149.06 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.908 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -122.71 120.55 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 70.32 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.16 171.57 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.152 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -82.94 161.69 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.901 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.0 tp -54.08 -36.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.121 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.9 p -94.71 28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 64.51 111.147 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -120.16 -24.34 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.879 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.61 -23.91 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.5 111.137 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -66.37 1.73 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 51.03 112.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -20.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 74.35 112.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -91.84 36.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 63.33 110.903 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -89.23 -36.29 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.78 -61.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -56.37 -51.51 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.34 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.99 119.57 23.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 73.32 111.111 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -84.31 -50.58 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.19 145.48 27.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 tp -136.64 146.17 45.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.944 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.59 120.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.155 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -148.27 159.96 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.114 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.1 p -100.55 -39.56 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.124 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.13 111.079 179.887 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 75.43 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -108.35 42.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.891 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -168.13 158.0 8.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 74.14 110.933 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.757 2.304 . . . . 64.12 112.32 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.44 147.5 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.4 mt -131.51 119.96 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 72.43 111.164 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -63.35 137.49 58.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.08 34.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.12 111.089 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -61.42 -34.54 75.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.844 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.01 -30.84 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.34 110.852 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -88.83 45.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.934 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 64.31 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.82 -48.54 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.336 . . . . 62.21 111.136 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.49 -35.99 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -60.63 -68.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.899 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.4 m -56.6 -35.75 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.45 111.156 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.68 -34.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.9 -34.65 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -71.58 -49.04 44.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 62.54 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.74 -49.28 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.125 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.0 -35.77 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.13 110.976 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.3 m -51.27 -31.26 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.32 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.59 -41.09 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.9 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.9 mt -51.1 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -96.77 31.42 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.952 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.904 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.357 . . . . 74.43 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -134.29 83.45 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -69.41 98.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.3 110.912 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.0 t -108.51 115.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 72.24 111.103 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.74 173.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 75.31 110.921 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -150.28 99.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.136 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.92 156.41 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.097 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.876 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.972 0.415 . . . . 65.01 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -119.52 -41.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.132 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.05 -41.35 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.44 -60.77 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 64.53 111.145 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.59 -52.32 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.88 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.81 -29.01 17.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.912 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 -60.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.073 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.69 -33.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.172 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.32 -32.58 62.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.898 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 ptp -92.33 -41.08 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.86 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.063 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -58.29 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -69.08 -36.06 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -73.2 -26.48 61.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.846 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.18 43.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.886 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 mt -106.04 151.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 71.42 111.162 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 73.57 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.911 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.03 129.27 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.104 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.28 78.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 70.3 110.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mt -55.57 133.15 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.4 111.121 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 147.11 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.903 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -123.03 129.17 51.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.46 174.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.163 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -82.05 161.23 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.894 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.91 -37.66 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -95.96 29.45 2.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.142 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -119.78 -23.11 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 62.24 110.855 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.5 -23.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 70.35 111.129 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.21 -67.07 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.32 112.509 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -21.29 33.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 74.32 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -92.34 37.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.05 110.882 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -99.41 -36.18 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 75.54 110.908 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.97 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.833 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.6 p -56.0 -51.43 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.119 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.32 141.68 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.109 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -89.74 -59.96 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 75.15 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -108.41 168.15 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.899 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -148.94 137.13 20.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.918 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.98 112.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 75.41 111.113 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 t -142.35 143.1 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 60.54 111.133 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -64.18 -35.46 80.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.151 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.077 179.863 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.902 0.382 . . . . 61.21 110.957 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -100.32 36.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.928 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -165.73 158.16 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 73.14 110.841 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 79.95 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 71.43 112.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -52.66 147.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.2 111.141 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.9 mm -129.42 110.02 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.146 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.72 131.16 30.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.79 34.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.05 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -34.84 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 71.1 110.845 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.09 -30.92 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.04 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -90.45 45.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.03 110.909 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 72.23 110.921 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 75.01 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.8 mt -87.64 -33.48 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 72.33 111.091 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -72.29 -34.54 68.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.853 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.03 -33.67 75.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 72.1 110.888 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 m -93.46 -34.1 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.4 111.134 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -50.18 -45.57 53.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -50.36 -44.78 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.41 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.0 -46.21 82.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.951 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.36 -53.95 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 61.32 111.138 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -50.06 -32.81 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.922 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.9 m -49.99 -30.26 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 75.31 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.18 -32.13 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 tp -49.43 -63.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.1 -38.9 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.85 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.808 0.337 . . . . 72.41 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -98.77 71.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 75.21 110.921 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.87 112.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.916 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.61 109.59 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 75.21 111.151 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.4 172.32 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.863 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.3 t -150.31 106.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 74.23 111.086 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.29 161.04 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.01 111.131 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 71.15 110.857 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.929 0.395 . . . . 71.2 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -121.04 -52.05 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.01 111.167 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.42 -40.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.21 -67.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.145 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -51.36 -42.47 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.904 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.01 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.72 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 64.43 111.091 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.0 mm -77.57 -38.34 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.54 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -64.73 -35.74 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.13 110.908 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -76.69 -34.97 58.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.0 -50.02 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.47 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -69.57 -43.61 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.07 -35.91 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -80.23 -28.67 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 71.53 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 65.48 45.18 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.865 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.4 mt -98.98 151.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -75.39 69.25 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.916 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.4 127.45 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.156 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.858 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -121.61 150.06 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 75.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -149.82 145.0 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.894 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -116.11 120.73 39.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 61.04 110.923 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.68 177.93 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.3 111.153 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.03 166.45 11.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.931 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mp -56.54 -28.48 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.34 111.127 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -81.71 -27.58 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.1 111.141 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.48 -23.84 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 53.12 110.897 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.26 -20.97 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.143 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.63 -67.4 1.68 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.552 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.04 35.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 74.55 112.312 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.41 34.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.99 -59.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.42 -51.37 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 72.35 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -53.46 -54.38 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 64.52 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.68 165.83 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.119 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.05 -49.79 3.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.875 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.88 150.33 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.904 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.2 tp -140.03 146.06 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 73.3 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.9 t -137.78 121.53 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 65.33 111.147 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -149.93 147.86 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.169 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -98.09 36.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 74.45 111.11 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.13 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.959 0.409 . . . . 74.42 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -101.87 39.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.907 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.48 158.41 4.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 52.15 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.95 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 75.1 112.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.68 139.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.139 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.7 mm -115.51 107.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.154 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -63.33 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.13 35.81 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.23 111.127 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -42.01 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.887 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.15 -35.16 59.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.929 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.73 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.45 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.922 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.475 -0.25 . . . . 52.25 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.4 mt -69.55 -34.67 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 74.43 111.131 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -51.66 -35.62 43.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.57 -43.73 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -58.76 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.55 111.14 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -51.8 -35.17 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -60.23 -35.77 76.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -76.61 -52.11 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.904 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.82 -48.07 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.14 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.69 -34.66 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 m -49.79 -33.88 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.02 111.175 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -105.4 -34.76 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.909 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.26 -62.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 74.42 110.888 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -97.36 -34.13 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.909 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.7 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.908 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.829 0.347 . . . . 73.33 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -97.61 155.69 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -134.27 119.22 18.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.17 118.1 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.14 111.125 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.63 178.83 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.903 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -150.29 90.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.133 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.4 92.26 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 70.44 111.101 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 62.4 110.885 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.937 0.399 . . . . 55.51 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -123.78 -55.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 64.42 111.143 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -51.91 -52.39 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.121 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.65 -64.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.14 111.111 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -51.87 -56.27 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.945 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -50.88 -32.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.32 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.06 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 70.42 111.092 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.82 -52.05 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.74 -34.18 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.866 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.26 -38.07 68.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.916 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 mmt -72.75 -50.7 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.914 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.41 -34.53 35.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.32 111.057 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -64.87 -42.54 94.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 65.22 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.07 -35.69 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -82.89 -30.34 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 65.06 45.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.3 mt -96.01 155.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 62.21 111.154 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 59.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.92 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -105.49 127.31 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.1 111.149 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -103.02 99.78 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 63.35 110.849 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.35 139.13 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.149 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -143.44 145.82 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.35 110.909 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.69 122.36 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.4 110.926 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.48 178.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.11 111.087 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -95.55 158.26 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.883 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 tp -51.71 -30.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.161 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.17 -30.05 31.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.153 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -95.8 28.52 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.5 p -120.95 22.15 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 73.02 111.122 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.81 -67.85 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -19.46 36.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 75.52 112.383 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -92.86 38.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.908 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -107.12 -36.11 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 73.04 110.929 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.35 -43.99 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -52.94 -54.75 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 61.22 111.11 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 159.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.34 111.084 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.78 -38.86 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.82 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.61 169.13 16.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 64.45 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.9 tp -163.6 136.87 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.939 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.5 t -117.98 119.57 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 71.11 111.139 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -139.67 148.61 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 70.24 111.155 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -76.88 -35.95 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.05 111.189 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.129 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.931 0.396 . . . . 74.55 110.952 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -96.18 36.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 75.01 110.899 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -162.03 157.81 20.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.691 0.757 . . . . 74.24 110.869 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 71.5 112.4 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.47 146.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.54 111.081 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.93 148.45 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 72.54 111.159 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -86.82 138.42 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.883 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.34 35.85 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.21 111.092 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -64.21 -36.09 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.818 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.38 -33.72 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -68.36 -29.31 68.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.955 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.513 -0.235 . . . . 64.43 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.4 mt -85.9 -34.38 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 72.21 111.163 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -69.5 -43.5 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.25 110.891 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.48 -46.5 73.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 65.42 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 m -78.87 -36.98 41.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.3 111.115 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -51.86 -33.58 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.849 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.26 -34.95 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -71.02 -51.24 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.5 mp -64.68 -48.16 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.121 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.51 -34.01 34.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.898 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -52.03 -30.34 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 62.24 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.8 29.11 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 63.13 110.893 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.5 mt -126.14 -35.54 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 74.03 110.896 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -115.61 -25.17 7.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.53 110.894 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.922 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 70.31 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -122.42 79.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 75.11 110.849 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.77 123.14 14.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.95 133.5 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 64.45 111.086 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 mt -89.53 175.45 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -150.17 87.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 64.34 111.16 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.54 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 74.52 111.096 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.894 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.935 0.397 . . . . 65.13 110.829 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -47.65 24.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.185 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.8 -47.0 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.148 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.96 -68.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.137 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -51.72 -40.09 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.25 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.73 -41.2 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.102 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.6 mm -68.12 -49.48 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.098 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -35.64 37.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 71.1 110.868 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.87 -39.6 66.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 64.05 110.927 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtt -68.38 -49.46 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.59 40.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -46.27 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.885 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.02 -37.58 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 64.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.64 -30.44 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.854 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 64.83 42.28 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.02 149.54 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 71.11 111.147 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.36 65.52 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.891 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 p -118.23 142.34 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.1 111.116 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.71 123.78 46.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.908 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.6 mt -86.11 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.116 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.63 139.31 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.906 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.02 123.57 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.69 168.56 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.149 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 160.2 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.879 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 tp -52.25 -38.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.45 111.105 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.5 p -94.87 28.97 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.142 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -119.63 -21.87 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.41 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.73 -24.09 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.095 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.14 -66.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 71.52 112.527 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -20.96 34.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 75.21 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -92.06 37.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.955 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.59 -35.94 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 75.43 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.8 -65.05 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 72.53 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.74 -42.76 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.35 111.104 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.2 144.03 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 70.45 111.092 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.23 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 64.11 110.88 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.71 137.24 36.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.895 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.28 117.59 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.936 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -113.25 111.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 74.5 111.139 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 t -151.75 143.69 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.45 111.175 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -64.03 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 75.53 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.1 111.108 179.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.988 0.423 . . . . 74.42 110.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 35.99 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 74.2 110.873 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -169.83 158.1 6.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.741 . . . . 73.35 110.876 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.686 2.257 . . . . 75.21 112.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.19 146.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.119 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mt -130.29 130.16 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.34 111.087 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -87.76 123.51 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.15 44.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.108 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -61.48 -40.04 93.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.862 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -52.78 -41.04 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.9 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -55.0 -35.27 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.914 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.911 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 54.14 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.2 mt -51.35 -52.26 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 62.14 111.136 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.72 -36.0 45.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.48 -39.76 92.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.45 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.22 -43.67 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 64.33 111.14 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -34.94 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.945 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.5 -35.54 74.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.977 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -77.68 -51.93 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.22 -50.12 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.17 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.89 -34.58 41.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 75.55 110.923 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 m -50.31 -33.9 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 70.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.58 -39.61 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.89 -55.17 38.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -36.21 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.928 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 71.24 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -78.79 86.46 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 75.3 110.932 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -62.16 125.77 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 73.1 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.65 137.69 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.14 111.131 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 mt -97.59 172.59 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -149.85 106.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.157 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.58 175.67 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.896 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.939 0.4 . . . . 73.52 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.73 -49.74 6.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 71.54 111.13 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.3 t -51.56 -47.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.095 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.6 t -54.01 -67.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -51.62 -55.15 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.89 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -51.57 -33.81 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.924 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.48 -55.53 5.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 54.53 111.11 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.2 mm -55.41 -53.17 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.129 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.36 -33.75 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -71.45 -35.89 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 73.32 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mtt -76.0 -49.03 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.55 110.872 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.79 60.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.13 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -60.47 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.912 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.08 -35.58 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 75.12 110.853 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -75.32 -27.44 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.825 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 65.84 43.91 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.26 152.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -73.65 74.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.879 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.76 137.19 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.01 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.89 83.54 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.894 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.66 143.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 75.24 111.104 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -151.58 137.23 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -114.85 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 73.55 110.929 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.09 172.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 65.13 111.144 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -82.36 162.58 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.876 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -28.74 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 71.34 111.141 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 p -98.48 25.94 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.141 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -121.89 -24.48 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.4 -23.97 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 72.2 111.138 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.32 -66.78 1.58 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 63.42 112.437 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.44 33.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 74.3 112.321 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.39 37.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.956 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -91.89 -36.27 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.21 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.07 -64.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.835 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -51.77 -55.69 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.11 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.14 130.91 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.132 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.38 -64.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.22 155.25 16.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.01 110.876 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.1 tp -149.03 126.13 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.932 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -122.55 120.92 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.53 111.156 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 t -153.01 149.57 28.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.171 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -66.56 -35.92 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.111 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 75.03 111.076 179.9 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.972 0.415 . . . . 74.05 110.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -94.69 38.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 75.33 110.864 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.98 158.03 9.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 72.33 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.41 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 73.43 112.379 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.18 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 64.03 111.133 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.9 mm -123.5 112.22 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.112 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -51.69 137.85 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.897 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.11 34.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.073 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -74.56 -35.05 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.884 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.9 -27.75 68.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.24 44.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 75.44 110.868 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 72.03 110.947 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.454 -0.258 . . . . 42.21 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.6 mt -125.6 -54.34 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 71.23 111.114 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -50.7 -35.68 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 61.42 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.64 -51.16 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.866 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 m -69.92 -44.56 69.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.2 111.148 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -34.25 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 74.4 110.895 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.12 -35.43 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -75.29 -51.67 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 75.45 110.919 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.51 -38.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.159 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.07 -35.67 79.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 75.15 110.893 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.49 -34.53 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 73.33 111.201 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -100.45 -36.44 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 tp -53.24 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.923 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -105.64 32.49 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.949 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.852 0.358 . . . . 75.14 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.21 91.84 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.38 114.01 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.3 t -118.34 141.83 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 62.41 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 mt -99.54 169.54 9.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -148.0 90.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.31 111.121 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.64 157.67 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 75.1 111.128 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 65.55 110.863 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.916 0.389 . . . . 72.12 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -88.18 -51.68 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.21 111.12 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.67 -48.19 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.41 111.105 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.37 -66.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.112 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -52.09 -42.54 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.851 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.87 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -43.79 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.14 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mm -66.52 -50.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 63.23 111.15 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -51.34 -35.92 40.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 63.3 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -70.5 -36.86 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.34 110.882 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mtt -73.19 -48.88 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.15 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.29 -43.08 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.113 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -58.88 -44.74 91.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.886 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.5 -35.72 78.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.21 -27.94 47.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 65.52 45.38 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mt -105.83 151.87 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.03 111.12 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 73.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.953 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.1 t -107.27 134.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.132 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.6 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.899 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.4 mt -67.97 135.71 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.43 111.15 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.5 151.6 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.912 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.67 132.21 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.962 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.34 171.97 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.152 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.29 161.55 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.911 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.3 tp -54.36 -37.09 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 65.05 111.155 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.5 p -95.03 28.15 2.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 72.34 111.123 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -119.12 -23.34 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 p -68.7 -23.55 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 71.24 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -66.82 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 70.44 112.526 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.24 33.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 70.41 112.339 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -92.23 37.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.941 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.01 -35.74 11.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 73.32 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.8 -64.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.75 -42.73 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.145 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.42 142.0 39.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.101 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -96.91 -60.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.85 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.7 149.72 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.896 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.7 tp -140.7 138.53 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 75.15 110.905 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.25 125.15 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.21 111.121 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -149.64 162.95 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.124 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p -111.34 -36.24 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 61.13 111.149 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 51.01 111.087 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.952 0.406 . . . . 73.3 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -96.07 37.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.49 157.92 13.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 72.33 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 87.64 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.01 112.375 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.04 147.62 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 75.44 111.172 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -128.55 129.11 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.11 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -74.99 140.02 43.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.79 35.52 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.055 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -72.56 -37.96 68.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -52.24 -35.77 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -62.06 -35.9 80.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.88 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.929 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.517 -0.233 . . . . 73.13 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.3 mt -51.15 -38.07 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 75.54 111.126 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.86 -36.0 71.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.79 -54.93 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -67.41 -46.97 71.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 74.41 111.154 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -34.74 40.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.863 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -61.79 -35.31 77.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -75.42 -52.07 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.942 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -60.89 -47.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 72.22 111.171 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.21 -40.86 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.874 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.1 m -49.91 -31.01 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.149 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.14 -49.72 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -51.5 -45.91 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.957 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.7 -47.33 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.936 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.865 0.364 . . . . 75.34 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -118.22 80.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.39 99.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 62.33 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.8 t -112.57 130.43 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.01 111.131 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.71 174.72 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.2 t -149.79 102.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.171 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.75 102.64 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.083 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.843 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.997 0.427 . . . . 74.44 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -109.86 -50.59 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.42 111.157 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.76 -45.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 62.04 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.63 -64.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.31 111.115 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.24 -56.98 12.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.86 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -51.15 -34.03 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.18 -58.03 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 72.54 111.083 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.0 mm -54.96 -53.77 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.143 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -51.11 -33.21 25.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 71.35 110.903 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -74.38 -35.98 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.849 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 mmt -73.68 -49.01 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.934 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.0 -43.26 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 71.11 111.081 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -57.66 -44.08 85.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.888 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -60.35 -35.72 76.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.851 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -80.22 -26.87 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.892 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 65.91 47.79 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.941 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.28 152.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -73.79 74.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.854 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.6 t -109.16 137.07 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.43 111.119 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.3 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.05 138.7 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 74.45 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.68 157.52 46.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.861 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -142.64 108.41 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.884 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.13 171.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.12 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -69.52 150.84 46.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.909 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.9 mm -47.36 -54.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.155 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -61.45 -30.24 70.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 73.45 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -11.79 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.86 36.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.109 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.24 -66.79 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.31 112.528 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -18.95 36.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 74.1 112.385 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -92.66 37.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.914 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -93.93 -51.09 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.929 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.49 -48.87 9.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 65.35 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -51.81 -57.56 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.172 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 158.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.01 111.109 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.8 -52.14 3.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 64.02 110.807 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 mt -134.67 168.34 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.885 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.7 tp -153.37 119.74 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.928 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.1 t -100.2 129.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.44 111.147 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -155.51 159.69 39.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 71.25 111.172 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.0 p -101.73 -41.03 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.142 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.131 179.862 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.886 0.374 . . . . 74.12 110.944 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -108.5 38.77 2.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.955 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.79 159.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 74.35 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.41 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.739 2.292 . . . . 74.21 112.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.2 t -51.6 137.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 74.11 111.146 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mt -111.51 116.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 61.53 111.098 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -57.41 129.2 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.866 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.06 35.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 63.24 111.086 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -71.05 -35.41 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.03 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -65.63 -20.67 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.04 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -90.1 39.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.35 110.887 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.893 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.448 -0.261 . . . . 62.44 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 56.0 mt -51.37 -35.13 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 72.42 111.124 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -54.88 -35.65 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 65.23 110.913 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.42 -33.1 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 72.41 110.878 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -85.95 -31.6 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 72.22 111.165 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.36 -52.68 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.875 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -51.62 -42.18 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.871 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.07 -52.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.03 111.106 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.49 -32.64 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.941 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.6 m -49.82 -31.2 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 75.32 111.143 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.1 -32.62 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.899 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tp -49.84 -57.74 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 70.44 110.93 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -114.95 32.82 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 72.05 110.966 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 74.5 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -118.64 83.41 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -58.73 112.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 65.44 110.936 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.3 t -118.87 140.18 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.127 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.0 mt -97.02 176.26 6.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.93 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -150.0 106.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.04 111.149 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.32 79.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.098 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 73.15 110.878 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.935 0.398 . . . . 74.45 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -104.33 -35.59 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.42 111.146 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.64 -50.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.11 111.135 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.1 t -56.27 -61.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 70.52 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -52.01 -60.11 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -51.72 -34.53 39.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 73.51 110.932 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.84 -56.81 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.081 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.8 mm -55.28 -54.86 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 74.45 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -52.28 -33.6 42.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.95 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 mmt -88.34 -43.63 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.904 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.52 -40.09 58.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.158 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.907 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -78.95 -35.87 42.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -75.09 -29.93 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 65.2 40.45 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 55.25 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.8 mt -96.18 150.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.45 111.149 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.78 67.3 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.943 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.73 126.22 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 72.23 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 105.79 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.852 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.6 mt -73.0 143.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.153 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -147.69 134.87 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 74.02 110.896 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.67 131.03 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.7 177.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.42 111.104 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -79.33 154.23 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.893 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.67 -29.83 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 72.13 111.123 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.8 p -86.47 -31.8 21.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -25.66 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.868 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.46 -27.36 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.132 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.59 -68.06 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 65.44 112.458 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -22.39 31.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 72.03 112.316 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.71 35.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.959 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.64 -42.49 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 75.43 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -72.08 -59.37 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 73.42 111.127 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.99 141.31 58.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.07 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -97.27 -48.82 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 73.22 110.825 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.5 139.78 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 74.3 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.4 tp -129.66 132.72 46.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.947 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.2 t -128.83 120.81 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.117 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 t -150.77 150.57 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.159 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.3 p -81.99 -38.64 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 75.41 111.152 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.134 179.876 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.927 0.394 . . . . 75.32 110.936 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -115.78 35.84 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -168.46 158.03 8.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 74.42 110.884 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.19 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 53.14 112.38 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.26 147.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 74.23 111.128 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.93 138.51 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.141 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -77.41 141.79 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.931 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.93 35.18 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.45 111.115 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -59.62 -48.21 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.43 110.891 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -53.0 -28.98 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.827 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -88.59 45.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.881 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 74.4 110.911 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.456 -0.258 . . . . 64.14 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.93 -38.82 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 75.03 111.12 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.0 -34.61 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.918 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.12 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.22 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 m -70.25 -43.28 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.138 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -51.39 -35.3 38.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.89 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.05 -35.82 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -72.08 -49.48 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 72.51 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -62.48 -40.89 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.03 111.112 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.52 -35.14 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.873 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.05 -30.21 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.121 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.12 -45.45 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 71.24 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mt -51.14 -42.56 60.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 72.15 110.907 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.89 -46.96 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.919 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.917 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 74.24 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -127.46 78.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.937 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.64 114.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 73.15 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.7 t -119.98 125.67 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.158 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.8 mt -94.13 168.89 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.912 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.5 t -150.4 82.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.148 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.35 83.19 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 62.44 111.076 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.892 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.94 0.4 . . . . 71.04 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -38.01 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 74.14 111.127 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.54 -35.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.071 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.1 t -70.88 -63.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.13 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -51.61 -43.79 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.886 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.14 -29.33 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.38 -40.41 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.41 111.121 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 mm -68.51 -38.03 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.123 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -35.37 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.857 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.51 -45.28 87.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.2 ptp -76.6 -42.13 43.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.41 110.891 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 64.13 111.066 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -60.95 -38.73 86.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.946 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.2 -36.53 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.887 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.59 -29.62 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.839 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 65.44 42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.85 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mt -96.04 149.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.3 111.156 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -76.84 62.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.897 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.99 129.86 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 45.43 111.137 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.57 86.89 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.862 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.21 144.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.11 111.174 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.79 -177.95 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.844 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -164.2 130.12 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.57 -175.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 75.32 111.147 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -90.53 158.46 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.877 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.7 tp -51.95 -28.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.104 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.5 p -85.29 -31.42 23.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.129 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -71.85 -28.45 63.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.3 -17.4 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.52 111.097 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.75 -66.94 1.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 74.4 112.534 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.02 36.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 62.43 112.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -92.37 37.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.51 110.899 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -93.39 -36.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -80.96 -53.69 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.05 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 p -55.19 -61.21 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.154 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.48 47.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 75.45 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -96.18 -36.94 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -131.86 132.17 43.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 74.34 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.0 tp -130.72 131.93 45.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 72.3 110.9 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.95 118.05 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -121.42 137.2 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.179 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -60.81 -42.5 97.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 75.3 111.17 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 74.25 111.093 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.946 0.403 . . . . 73.02 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -105.29 37.75 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 74.04 110.893 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.67 157.99 9.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 74.34 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 82.14 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.239 . . . . 74.55 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.6 t -52.78 143.07 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.33 111.087 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.7 mm -131.0 143.62 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.123 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -84.16 138.5 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.09 35.2 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.076 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.92 -35.87 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 72.13 110.874 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -58.6 -35.74 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 65.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.07 -35.8 81.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.878 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.512 -0.235 . . . . 73.53 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.33 -34.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 72.44 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.31 -35.5 79.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.52 -55.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 75.11 110.863 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -51.7 34.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.126 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -53.06 -32.22 45.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 70.21 110.881 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -32.48 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 71.44 110.928 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -91.68 -51.43 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mt -55.18 -34.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.53 111.139 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.27 -23.8 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.902 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.8 m -50.72 -33.21 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.54 111.139 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.78 -32.59 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.914 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mp -50.96 -36.18 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.3 110.883 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 70.44 110.873 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 62.43 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -84.33 69.99 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.891 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.34 115.26 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 71.31 111.119 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mp -115.99 171.63 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -147.06 108.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.119 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.42 75.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 72.53 111.086 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 51.25 110.901 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.928 0.394 . . . . 72.42 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.37 -38.75 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 70.14 111.153 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.04 -39.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.8 -63.99 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.46 -45.34 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.898 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -52.4 -28.36 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.873 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.06 -58.17 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.094 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.83 -31.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 75.31 111.12 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -38.1 88.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.84 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.1 -30.27 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 40.4 mtt -76.68 -57.66 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.832 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.99 -34.94 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 62.52 111.115 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -65.92 -42.72 89.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.94 -39.06 90.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.924 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.8 -27.26 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.77 42.63 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.1 149.64 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.143 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -76.11 67.98 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.863 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.39 127.9 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.119 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -96.12 159.0 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.873 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.66 136.2 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 64.14 111.119 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.69 170.81 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.92 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -157.33 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.47 178.28 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.35 111.146 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -99.09 163.87 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.5 110.922 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -27.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 64.2 111.102 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 t -82.57 -30.99 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.167 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -95.53 27.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.863 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.5 p -121.82 22.28 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 72.3 111.145 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.3 -68.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 62.22 112.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.77 35.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 75.3 112.346 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.91 38.33 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -93.5 -36.74 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 71.45 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.64 -36.89 4.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 65.22 110.86 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.9 p -51.57 -47.68 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.22 111.167 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 120.42 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 74.25 111.093 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.94 -35.81 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.49 133.13 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.922 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.5 tp -126.36 133.06 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.94 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.43 122.57 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 70.33 111.101 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 t -140.91 161.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.53 111.147 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 t -120.65 -33.63 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.144 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.081 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.894 0.378 . . . . 75.52 110.926 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -95.36 36.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -162.65 157.92 19.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 73.53 110.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 72.44 112.346 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.7 t -51.75 144.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.138 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.3 mm -115.0 126.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 65.31 111.091 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -66.06 134.33 52.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.899 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.12 35.64 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.41 111.09 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -54.18 -35.95 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.859 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -73.69 -34.89 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -64.21 -30.51 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 74.02 110.884 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 74.41 110.896 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 65.24 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.2 mt -74.88 -47.8 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 71.23 111.128 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -52.02 -35.89 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 75.05 110.912 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.64 -37.74 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.908 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -87.98 -37.68 16.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 64.24 111.115 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -51.54 -32.24 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.923 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -57.63 -34.21 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 65.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -81.64 -51.81 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.862 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mp -57.3 -52.16 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.54 111.127 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.18 -32.4 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 70.22 110.933 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -49.91 -30.93 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.45 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.54 -31.89 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 75.35 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.55 -45.06 56.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 64.24 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.75 -35.14 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.947 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.893 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 73.42 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -117.89 115.36 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.915 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -97.0 104.69 16.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.8 t -108.52 120.7 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 74.33 111.093 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.0 mp -87.03 172.65 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.899 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.25 109.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 74.23 111.08 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.72 109.22 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.45 111.1 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.4 p -119.39 145.4 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 75.42 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.2 82.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 75.0 112.488 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.92 -66.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 62.1 111.08 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.44 -51.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 72.03 112.475 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.67 143.05 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 73.52 111.156 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.16 -55.71 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.126 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -129.04 165.42 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 74.41 111.144 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 p -74.3 92.04 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 64.24 110.841 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -88.13 -58.01 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.01 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.48 -48.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.9 t -55.28 -61.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.17 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.03 -58.43 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -51.32 -32.59 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 64.02 110.891 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.8 -61.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 65.01 111.085 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.4 mm -51.38 -53.72 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 70.32 111.115 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -51.13 -33.03 24.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.864 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -73.1 -37.0 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.928 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 mmt -74.34 -49.6 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 64.51 110.828 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.35 -37.92 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 74.51 111.079 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -49.71 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 71.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.09 -36.79 71.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -77.98 -26.4 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 72.31 110.851 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.42 46.61 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.25 110.914 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.39 149.23 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 74.33 111.117 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -75.52 70.51 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.33 110.931 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 p -124.07 143.77 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 75.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -129.03 121.44 27.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 63.13 110.855 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.6 mt -79.75 143.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 64.14 111.15 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -126.71 141.74 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.931 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -121.31 122.6 40.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.34 110.915 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.01 172.2 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 73.52 111.155 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -82.85 162.43 21.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 75.01 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.2 tp -54.65 -37.21 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.147 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.7 p -94.55 28.33 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 74.32 111.118 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -119.77 -20.94 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 64.01 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.6 p -66.91 -25.24 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 62.45 111.159 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.67 -67.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 74.22 112.51 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -22.25 32.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 72.24 112.354 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -92.29 37.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.918 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -96.85 -35.49 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.42 110.853 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -76.59 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 74.12 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.71 -43.44 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.171 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.71 167.29 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 65.54 111.128 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -120.37 -51.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.9 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -121.05 152.32 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 74.44 110.943 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.7 tp -137.62 143.83 41.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.923 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.8 t -136.98 127.01 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.35 111.115 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -144.17 152.13 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 74.22 111.17 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.4 p -80.12 -41.2 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.142 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.94 -173.12 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.097 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.2 mmm 59.08 47.26 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 75.15 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.7 52.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.167 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -115.66 86.51 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 74.01 110.918 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -162.25 172.99 14.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 75.42 110.942 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.27 64.08 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 71.23 110.895 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -67.22 142.08 57.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.943 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -111.6 37.31 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 75.52 110.917 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.65 158.04 16.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 74.44 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 75.12 112.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.04 144.06 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.13 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 39.3 mm -122.41 114.29 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 74.13 111.179 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -51.98 141.81 17.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 54.1 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.05 35.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 111.091 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -72.83 -34.53 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.91 -30.53 71.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.887 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -89.45 45.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.865 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.77 -37.73 24.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 73.15 110.907 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -122.53 -42.72 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 72.51 111.101 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.28 39.28 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 70.22 112.494 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 pp -128.99 -35.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 73.13 111.147 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.33 36.35 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 73.22 112.439 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.3 mt -75.64 -47.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 73.14 111.161 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -51.55 -35.57 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.53 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -55.98 -68.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.852 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.8 m -61.94 -39.06 90.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 64.42 111.131 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -51.2 -38.46 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.906 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.92 -35.3 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 75.23 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -71.92 -52.12 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.952 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.35 -35.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 55.04 111.126 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.47 -27.77 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.9 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.7 m -51.01 -34.13 27.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 74.34 111.129 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -95.24 -36.87 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.937 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.2 mt -53.11 -52.51 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.32 110.909 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -116.32 33.8 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 60.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 64.22 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -100.47 166.68 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.899 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -142.54 108.55 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.32 110.935 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.1 t -114.2 102.68 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 75.11 111.17 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -76.65 173.94 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.908 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.26 109.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.23 111.155 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.63 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 74.54 111.072 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 t -71.75 -35.64 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 113.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 74.54 112.475 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.36 130.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 74.21 111.107 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.08 -43.32 55.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 73.04 112.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.81 -34.53 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 74.43 111.1 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.21 54.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.33 111.111 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -98.64 40.39 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 75.43 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.52 51.81 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.841 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.45 -42.69 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 70.43 111.174 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.85 -46.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.41 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 t -55.8 -66.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.117 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -51.76 -53.52 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.41 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -53.36 -34.72 58.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -46.46 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.52 111.1 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.6 mm -63.51 -52.99 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.21 111.182 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -51.42 -34.75 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.937 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -64.16 -36.08 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 75.44 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.3 mmt -82.58 -46.35 13.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.53 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.18 -37.27 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 74.21 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -61.3 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 64.21 110.865 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.37 -38.49 68.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 64.43 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -80.38 -28.57 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.52 110.874 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.16 45.2 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 73.51 110.838 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mt -96.35 149.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.42 111.108 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -75.94 66.86 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 74.31 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -113.25 140.93 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 74.34 111.153 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.35 98.06 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.859 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.5 124.29 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 73.51 111.145 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -122.62 154.72 37.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.43 110.91 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -142.57 123.77 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.34 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.13 177.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.22 111.147 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -84.51 157.97 21.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.867 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.9 mm -51.15 -30.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.129 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -84.86 -31.92 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 74.21 111.173 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.93 -30.52 66.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 62.44 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.6 p -72.21 -16.03 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.173 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.01 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 53.41 112.521 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -17.31 37.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 70.33 112.312 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -93.25 37.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.43 110.884 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -91.86 -37.44 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.5 110.862 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.0 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 63.3 110.815 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -51.62 -60.27 3.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.12 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.11 127.62 33.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 71.41 111.12 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -64.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.97 168.07 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.14 110.974 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 39.2 tp -152.06 146.3 25.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 74.11 110.899 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.3 t -132.45 127.28 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.164 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 164.71 27.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.24 111.174 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.8 p -134.4 34.65 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.126 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.99 177.97 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.35 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 ptm -82.94 166.45 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 15.1 t -175.98 178.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 70.52 111.139 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -54.79 -26.58 35.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 74.31 110.914 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 14.9 mttt 65.47 35.71 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 73.43 110.881 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -113.18 35.01 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 63.13 110.917 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 46.1 m-85 -69.27 167.62 15.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 73.34 110.949 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -118.33 33.65 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.52 110.939 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.07 160.32 16.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 75.24 110.923 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 80.51 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.719 2.279 . . . . 74.5 112.336 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.8 t -64.85 145.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 63.42 111.118 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.57 139.35 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.127 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -80.6 126.39 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 75.12 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 72.24 111.114 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -66.0 -35.78 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.909 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -59.0 -39.32 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 73.34 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -55.58 -35.76 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tp -82.08 -34.83 29.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 70.53 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.6 t -163.55 117.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.157 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.31 -36.58 1.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 72.43 112.493 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt 53.65 67.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 73.3 111.125 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.62 42.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.516 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.2 mt -56.4 -34.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 75.41 111.104 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.3 -36.5 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 72.2 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.19 -38.86 56.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 75.32 110.904 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 90.8 m -67.75 -57.87 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 55.13 111.137 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.6 tptt -51.69 -35.48 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 64.34 110.912 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.97 -34.3 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.951 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -80.54 -45.61 17.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mt -59.91 -54.24 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.55 111.091 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.78 -29.98 21.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.952 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 m -49.53 -30.5 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.151 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -119.88 -29.63 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 71.31 110.899 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.88 -45.69 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.906 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -116.59 -41.85 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.855 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 75.41 110.857 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.341 . . . . 74.41 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -120.05 67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.92 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -54.87 108.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.97 134.29 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 72.1 111.137 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.3 mt -97.19 169.22 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 71.34 110.922 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -150.54 85.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.85 114.39 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.085 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -104.51 140.95 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.97 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 72.42 112.463 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.59 125.67 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 74.11 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 -152.8 6.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 65.31 112.438 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.1 -40.91 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 70.32 111.12 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 119.81 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 65.3 111.083 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 p -69.94 164.23 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.4 p -82.27 70.28 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.12 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.62 -46.64 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.175 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.6 t -51.75 -45.17 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 74.3 111.177 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.9 t -56.16 -68.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 73.0 111.153 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -51.47 -44.28 62.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 74.51 110.899 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -56.02 -29.83 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 71.53 110.889 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.85 -52.57 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.52 111.086 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.5 -33.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.125 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -73.2 -24.75 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.884 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.47 -38.74 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 74.41 110.85 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -37.05 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 73.24 110.823 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.38 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.42 111.071 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.48 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.928 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -72.56 -35.82 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 63.52 110.878 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.18 -27.87 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.788 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.93 45.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.888 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 20.3 mt -99.64 157.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.53 111.137 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.9 pttt -76.71 60.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.907 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.62 133.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 63.24 111.124 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.1 94.48 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.846 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.7 mt -60.56 138.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 74.32 111.085 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -148.96 143.21 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.31 110.905 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -126.09 126.19 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 74.44 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.72 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 72.21 111.114 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -74.71 156.61 36.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.902 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 mm -49.23 -34.3 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.164 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -69.6 -38.1 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.175 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.11 -29.12 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.7 t -64.6 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.24 111.103 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 70.52 112.497 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.41 30.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 73.05 112.375 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.5 m-85 -93.05 34.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 72.31 110.897 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.46 -38.05 13.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 74.45 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.33 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 74.35 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -52.05 -51.13 59.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 61.45 111.136 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.46 134.41 53.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.2 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.98 -62.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.79 147.65 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 75.41 110.922 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.0 tp -140.19 132.82 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.3 110.925 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.7 t -119.76 114.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.44 111.101 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 t -128.46 144.93 51.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 61.32 111.141 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 38.6 p -78.11 -35.75 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 74.34 111.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.12 -176.78 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 62.12 111.092 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmm -127.8 168.04 15.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 75.22 110.849 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.5 t -139.3 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.13 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -86.61 -35.79 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.924 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -51.78 159.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.04 110.912 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -102.19 107.67 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.904 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -70.0 150.6 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.913 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -98.57 38.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 74.1 110.892 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.28 158.14 6.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 63.5 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 74.44 112.37 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.2 t -57.08 145.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.117 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.21 115.65 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.121 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -52.05 138.03 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.896 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.78 35.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 43.25 111.09 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -71.95 -36.99 70.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.32 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.44 -33.47 71.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.905 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -90.61 45.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.3 tt -80.51 -35.85 34.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -121.61 -37.19 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 60.31 111.138 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.73 54.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 75.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.2 mt -140.21 -71.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 74.21 111.124 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.35 81.57 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 43.33 112.476 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.7 mt -105.33 -41.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 75.44 111.185 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -51.6 -33.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.99 -63.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.9 m -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 70.53 111.144 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 71.34 110.948 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.07 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -68.09 -49.07 63.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.8 mt -68.67 -48.5 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 73.3 111.091 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.88 -32.07 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.5 m -49.52 -31.54 10.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.147 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.36 -31.61 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.835 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.21 -44.44 53.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 74.42 110.935 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -122.27 -35.0 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.35 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.21 110.91 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.855 0.359 . . . . 74.43 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -104.16 87.47 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 75.13 110.904 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.45 127.76 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.45 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.02 139.17 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 62.42 111.154 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.9 mt -95.62 174.28 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 73.34 110.953 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.9 109.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.23 111.16 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.88 -179.86 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 72.53 111.065 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.0 t -175.35 116.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.49 84.31 1.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 63.54 112.499 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.77 148.38 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 74.12 111.064 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.17 -38.8 5.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 72.43 112.464 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -75.67 -61.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.365 . . . . 75.43 111.115 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 167.09 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 73.45 111.095 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.4 p -131.48 168.14 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.127 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.3 57.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 55.43 110.888 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.4 -42.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.43 111.156 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.4 -42.37 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.138 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.7 t -60.07 -59.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.129 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -57.48 -44.01 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 75.32 110.877 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -58.61 -31.91 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.51 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -55.66 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.081 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.3 mm -55.79 -49.16 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 71.43 111.127 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -51.08 -33.03 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.07 -39.55 55.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 74.13 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmt -68.59 -47.91 65.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 75.23 110.9 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.16 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.52 111.072 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -64.08 -37.52 87.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.941 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.68 -35.55 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 63.2 110.871 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.63 -30.06 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 73.52 110.854 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 65.14 43.31 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -96.91 150.44 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.109 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -76.06 67.36 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 71.1 110.861 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.47 143.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 73.02 111.139 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -120.52 126.34 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 75.55 110.896 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.6 mt -91.35 145.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.127 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -140.61 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.926 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -113.17 128.61 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.2 173.09 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.163 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -83.06 162.01 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 70.41 110.877 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 tp -54.02 -37.91 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -95.16 29.6 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 75.33 111.164 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -120.28 -21.56 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 75.55 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.4 p -68.02 -24.03 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 71.42 111.148 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -67.35 1.37 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 71.14 112.471 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -21.46 33.86 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 74.5 112.351 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -92.1 38.07 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 73.45 110.923 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -95.41 -35.45 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.863 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -75.43 -65.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.44 -43.29 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 65.43 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.25 147.27 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.45 111.118 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.03 -58.75 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 74.34 110.906 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -106.23 156.07 18.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 72.35 110.879 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.7 tp -143.11 135.58 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.923 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -120.09 127.28 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.22 111.118 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -156.39 141.37 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 64.35 111.161 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -93.94 40.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 72.42 111.139 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -171.22 129.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 61.44 111.056 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ttp -89.59 145.64 25.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 75.51 110.906 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -118.51 170.65 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.01 111.155 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -88.68 64.44 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.871 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -144.94 159.45 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.882 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -96.12 90.08 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.939 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -66.36 149.35 50.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.892 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -104.68 35.79 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 73.31 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.15 157.82 11.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 75.13 110.863 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 65.35 112.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.6 t -51.85 147.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 75.43 111.162 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.3 mm -125.85 143.68 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.24 111.138 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -92.89 134.19 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 74.13 110.933 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.08 35.24 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.24 111.089 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -56.52 -35.67 68.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.869 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -74.31 -33.88 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -63.23 -28.0 69.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.45 110.918 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -35.14 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 74.55 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 t -99.48 -32.0 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 72.34 111.111 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.63 54.32 2.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 74.34 112.434 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.5 mt -147.1 -41.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 74.53 111.104 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.06 81.53 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 74.32 112.445 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.0 mt -125.89 27.43 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 74.54 111.173 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -123.19 -35.77 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.09 -34.01 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -88.83 -43.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.113 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.16 -48.81 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 64.51 110.859 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -51.8 -45.58 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 65.04 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.61 -47.64 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -72.11 -52.8 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.13 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 32.4 tp -51.37 -27.27 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.43 110.895 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.6 m -48.51 -34.61 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 74.41 111.152 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -100.37 -34.37 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.893 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 69.8 mt -51.88 -47.71 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.866 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -121.6 33.29 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.876 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.919 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 70.34 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -134.17 117.3 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -98.07 116.53 30.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.9 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -131.31 121.3 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 65.04 111.079 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.5 mp -91.25 -176.78 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 75.42 110.918 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.8 t -150.16 109.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.115 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.95 115.06 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 61.53 111.089 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.55 165.04 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 61.31 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.48 -33.83 0.6 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.735 . . . . 54.31 112.467 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.56 167.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 64.11 111.142 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.28 61.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 43.53 112.45 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.3 mm -124.33 142.76 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 73.31 111.138 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 61.05 111.147 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 t -178.16 143.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.147 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.15 117.31 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 73.41 110.831 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 -55.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.31 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -54.6 -58.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 73.42 111.106 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 64.5 t -51.71 -60.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.55 111.133 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -51.03 -57.18 9.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.32 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.35 -34.25 33.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.16 63.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 71.15 111.092 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.9 mm -67.74 -52.67 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 73.44 111.15 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -51.31 -34.95 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.924 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -72.26 -43.44 64.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.5 mtt -65.94 -50.45 64.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.34 39.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 70.25 111.134 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -63.85 -43.68 95.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -59.24 -35.95 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -82.88 -29.69 29.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 65.21 45.45 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 71.2 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 mt -96.98 150.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.111 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.42 66.41 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 74.13 110.915 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.76 135.36 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 75.13 111.166 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -99.38 -178.29 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 64.32 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -144.75 111.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 72.14 111.151 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -99.98 152.2 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 75.34 110.885 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.86 107.65 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 53.23 110.894 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.35 174.35 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 72.45 111.121 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 163.44 13.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 73.54 110.929 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 tp -52.94 -29.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.52 111.127 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.9 -27.42 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.174 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.04 26.83 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 74.32 110.882 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.4 p -120.88 22.51 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.132 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.6 -67.2 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 65.42 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.64 35.84 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.266 . . . . 64.31 112.33 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -92.9 37.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.22 110.915 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.44 -47.47 3.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 75.14 110.844 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.13 -41.0 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 65.05 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -54.34 -57.42 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.116 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.8 179.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 74.25 111.08 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -116.52 -41.39 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -135.47 169.06 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 71.12 110.902 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 29.4 tp -157.01 115.9 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 71.4 110.897 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.91 121.22 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.179 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -146.27 156.82 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 72.41 111.124 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.7 t -116.61 -33.05 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.121 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.59 -174.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 75.3 111.115 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -99.22 163.6 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 m -160.04 147.12 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.13 111.186 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -108.0 -36.02 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.887 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 140.38 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.854 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -76.14 99.97 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.43 110.889 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -65.99 143.51 57.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 75.41 110.94 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -98.86 36.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 75.24 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -164.41 157.92 15.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 74.44 110.868 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 79.92 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 73.41 112.357 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.0 t -51.6 146.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 64.31 111.118 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mm -119.27 105.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 72.45 111.159 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -55.69 126.13 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 71.23 110.931 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.32 37.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.089 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -62.28 -38.29 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.15 -37.99 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -60.4 -35.97 77.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.901 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 tp -84.84 -35.57 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 75.34 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 t -153.0 110.17 3.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 75.41 111.151 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.95 -42.09 0.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 65.23 112.467 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mp 54.89 63.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 75.32 111.162 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -146.74 47.34 0.7 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 74.42 112.518 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.96 -35.06 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 64.31 111.131 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.83 -35.74 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -79.41 -41.99 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 73.24 110.919 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 m -61.42 -51.53 68.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.122 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -51.81 -34.91 42.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 73.32 110.888 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -34.26 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.928 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.98 -49.84 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -65.32 -45.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.13 111.122 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 11.8 tp -56.99 -21.28 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.23 110.918 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.2 m -61.98 -16.05 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 73.25 111.15 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.05 -33.99 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.3 110.906 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 87' ' ' LEU . 59.7 mt -49.96 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -93.28 33.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.92 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.882 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 73.43 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -109.39 87.31 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.72 104.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 57.3 t -115.04 112.47 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 71.53 111.183 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.36 173.74 11.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 73.45 110.883 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.7 t -149.33 115.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 75.34 111.165 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -136.05 78.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.098 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.96 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.56 -54.12 4.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 61.22 112.522 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.72 130.51 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 73.24 111.097 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.17 -80.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 74.03 112.465 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.39 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 73.34 111.123 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.7 71.2 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 74.35 111.093 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -176.45 130.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.54 111.177 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 p -110.61 118.71 36.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.424 . . . . 71.44 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.8 m -122.21 -64.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 74.32 111.085 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -50.38 -41.77 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.8 t -58.85 -55.37 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 70.23 111.154 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.61 -55.36 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -52.17 -29.27 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 73.44 110.845 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.37 -61.11 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 60.34 111.099 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.6 mm -52.48 -49.07 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.156 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -50.8 -33.16 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.67 -37.24 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 73.12 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -70.75 -54.17 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 71.42 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.5 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 72.51 111.062 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.49 -44.72 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 74.53 110.893 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.24 -35.67 67.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 73.45 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.56 -28.0 25.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 65.63 49.73 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 63.55 110.827 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.82 158.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.3 111.105 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.78 75.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 73.42 110.882 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.52 129.18 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.139 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -114.23 76.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.855 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.9 mt -51.81 142.59 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.139 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.18 146.2 29.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 75.12 110.921 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.33 127.9 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 71.43 110.912 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.0 -176.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.145 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -79.22 153.57 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.911 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.6 tp -50.01 -30.56 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.129 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.2 p -86.63 -32.57 20.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.52 111.095 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -56.79 -27.09 59.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 73.52 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.5 p -64.46 -27.47 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 73.31 111.145 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.57 -68.15 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 54.43 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -22.86 31.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 75.24 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -92.95 35.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.879 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.18 -40.69 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.21 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.98 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.845 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -51.82 -46.65 64.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 64.41 111.161 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.13 148.81 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.118 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -103.75 -58.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 70.35 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.16 157.93 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.916 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.8 tp -152.77 134.35 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 74.32 110.888 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.28 119.77 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 72.14 111.13 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -147.42 131.0 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.2 111.151 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.3 p -70.82 -42.63 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 64.52 111.16 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.14 -178.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 63.23 111.084 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -133.74 174.44 10.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.902 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.5 t -175.35 173.92 2.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.104 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -51.87 149.93 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.943 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.92 84.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.879 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.89 36.56 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 72.43 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -100.61 145.08 28.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.944 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -103.62 35.89 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 73.53 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -172.49 158.26 3.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 72.33 110.859 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.276 . . . . 73.3 112.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.2 t -67.0 146.69 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.125 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.0 mt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.154 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -76.79 140.54 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -105.83 35.19 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.094 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -58.29 -35.78 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 74.15 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -67.26 -17.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 65.23 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -91.14 37.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 74.42 110.888 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -112.9 -34.8 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 74.01 110.888 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 p -93.11 -35.19 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.162 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.74 -30.29 5.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 44.41 112.494 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.2 mm -105.48 151.77 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 75.05 111.163 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.95 21.61 27.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.44 112.491 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 98.8 mt -68.89 -35.47 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 72.54 111.128 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.12 -35.54 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.33 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -51.67 -36.12 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 m -99.54 -35.15 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 74.34 111.163 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -51.71 -35.92 44.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 73.25 110.919 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -59.87 -46.0 90.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -56.19 -51.54 67.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -64.92 -50.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.154 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -52.35 -41.7 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.897 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.0 m -54.53 -25.92 28.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.137 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -99.5 -38.41 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -51.03 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 75.12 110.932 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -36.93 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 72.43 110.916 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 72.43 110.92 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.836 0.35 . . . . 71.33 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -122.43 81.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 74.52 110.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -61.51 101.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.1 t -109.32 141.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 74.4 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 47.2 mt -95.04 174.36 7.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 75.12 110.885 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -150.12 89.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 111.155 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.68 106.66 15.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.35 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -95.35 153.13 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.1 84.46 0.71 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.734 -0.746 . . . . 63.44 112.48 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.18 -48.83 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.344 . . . . 73.32 111.096 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.19 -54.73 3.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 54.21 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.3 mm -104.78 -46.07 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 74.24 111.119 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.99 179.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.118 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -122.61 142.97 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.21 111.147 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -88.91 70.02 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 72.03 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -101.48 -41.07 6.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 75.21 111.176 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.1 t -52.38 -55.58 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.135 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.1 t -51.66 -62.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 70.24 111.168 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.29 -53.88 25.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.43 -26.36 53.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.44 -34.35 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.063 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.4 mm -76.48 -40.23 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.142 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.905 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.17 -34.95 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.8 -53.61 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 73.33 110.911 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.63 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 75.4 111.105 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -43.61 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 71.32 110.885 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.25 -35.71 74.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.57 -29.83 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.84 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 65.22 46.23 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.879 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.62 151.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 75.45 111.111 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.02 67.19 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 75.2 110.929 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.71 136.86 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 74.24 111.124 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.43 121.89 46.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.9 mt -83.1 145.97 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.22 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.9 mttp -147.24 134.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.912 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -119.16 130.61 55.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.25 178.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.123 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 164.45 15.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.885 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.3 tp -55.55 -32.45 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.126 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.8 p -95.01 28.34 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.173 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.97 -28.36 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.0 p -67.02 -25.18 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 75.54 111.158 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.42 1.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 51.23 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.4 33.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 74.11 112.323 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -92.05 37.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 72.13 110.935 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.15 -36.15 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.24 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.11 -52.65 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.848 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -62.83 -50.65 70.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.155 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.04 128.76 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.23 111.069 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.33 -64.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 75.32 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.03 170.71 7.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.923 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 38.5 tp -154.29 123.47 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.4 110.901 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.8 t -118.11 110.26 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.22 111.123 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -134.0 146.19 50.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 73.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.0 p -57.61 -47.84 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.32 111.165 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.43 163.6 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -177.69 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 62.41 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 p -115.58 -172.93 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 73.23 111.118 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -97.05 -36.07 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 75.13 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -64.34 -173.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.42 110.887 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -109.3 97.68 7.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.866 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -54.94 158.28 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 74.02 110.925 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -111.46 37.15 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 73.11 110.914 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 158.3 4.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 75.04 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.62 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 74.52 112.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.3 t -69.36 144.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.43 111.124 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.13 112.94 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.14 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -51.92 132.49 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.915 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.05 35.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 62.32 111.088 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -74.55 -35.2 63.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -55.17 -34.53 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 75.4 110.904 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -63.32 -20.24 65.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.873 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.02 -35.09 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 71.2 110.919 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 59.1 p -50.88 -46.07 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.147 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.78 36.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 62.32 112.502 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt 64.56 57.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 74.23 111.152 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.72 47.7 1.87 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 73.51 112.445 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.8 mt -80.17 -34.05 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 52.34 111.139 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.9 -34.97 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 63.43 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -94.29 -51.6 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 71.34 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -51.33 -47.89 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 72.11 111.164 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -52.08 -34.03 41.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.884 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -59.29 -35.37 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -66.87 -48.75 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.73 -48.5 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 65.32 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.42 -32.53 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 73.4 110.896 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.5 m -49.61 -31.23 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.136 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -113.83 -31.38 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.844 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 tp -50.32 -44.52 54.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.914 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.96 -35.71 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 70.5 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.3 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.922 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 74.41 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -88.26 102.84 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.942 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -80.14 110.4 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.1 t -122.25 132.26 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 75.11 111.131 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 mp -114.4 176.88 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 62.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -148.46 104.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.52 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.39 99.64 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.125 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -109.72 111.1 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.36 41.32 2.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 73.22 112.48 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 74.13 111.097 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.86 -46.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 71.02 112.475 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -126.3 149.32 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 75.32 111.112 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.7 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.51 111.097 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 19.9 p -139.16 38.04 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 70.5 111.12 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -104.87 36.68 2.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.823 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.55 -58.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 73.14 111.148 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.36 -43.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 74.45 111.169 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.68 -66.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 64.11 111.14 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -51.3 -45.12 62.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.855 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.37 -35.02 76.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -44.24 49.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 72.02 111.097 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.8 mm -66.91 -52.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.07 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.42 -33.8 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.97 -36.2 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.45 110.86 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.87 -51.91 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -38.91 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.25 111.066 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -61.26 -48.02 83.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.34 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.19 -36.13 51.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.41 110.874 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -84.38 -25.14 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 66.08 51.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 73.51 110.889 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mt -112.77 148.35 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 74.13 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -73.67 74.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.879 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.8 t -107.28 119.52 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.24 111.146 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -89.56 107.57 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.8 mt -89.35 124.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.151 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -125.12 163.21 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.24 110.928 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -146.07 106.45 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 73.32 110.931 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.96 175.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 73.22 111.101 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -97.45 163.69 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 73.43 110.865 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mp -53.5 -29.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.33 111.108 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -78.54 -28.7 46.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 75.14 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -101.38 28.62 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 73.52 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.0 p -118.28 21.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 71.32 111.152 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.2 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 73.32 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.66 35.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 71.35 112.334 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -93.42 36.75 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.909 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.04 -48.68 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 72.2 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.07 -35.86 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.52 110.902 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.6 p -62.41 -50.8 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 65.51 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.46 169.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 75.43 111.105 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.63 -35.85 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.9 132.31 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.52 110.912 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 28.9 tp -112.53 146.02 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.94 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 95.3 t -126.49 105.89 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.02 111.126 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 t -128.94 154.65 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.146 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -102.26 -36.13 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.53 -169.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 72.13 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -114.01 176.18 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -161.2 157.67 26.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 71.54 111.1 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -78.02 59.68 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.933 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 39.35 41.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.877 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -101.97 41.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 75.53 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -124.52 130.84 53.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 73.23 110.918 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -95.83 35.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 75.34 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.94 158.28 21.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.21 110.881 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 80.84 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 75.22 112.331 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.3 t -51.67 144.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 72.41 111.125 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 44.7 mm -120.31 111.94 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 73.3 111.139 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.83 128.81 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -106.31 35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.53 111.078 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.842 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -57.85 -41.11 81.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 73.02 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -54.49 -35.11 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.92 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.8 -34.86 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.912 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -154.61 111.86 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.52 111.133 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.02 -35.9 1.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 63.41 112.481 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt 51.82 66.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 73.23 111.127 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.73 45.12 0.6 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 75.54 112.48 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.2 mt -57.27 -35.03 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.5 111.112 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -53.3 -34.9 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.894 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.81 -50.9 18.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 61.13 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.97 -59.42 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.23 111.144 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -51.84 -34.21 39.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.89 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.42 -35.37 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.34 -51.61 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.33 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -56.11 -37.27 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.136 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.98 -32.72 71.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.9 m -61.69 -26.04 67.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 74.22 111.164 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.45 -35.34 8.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.858 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 13.6 mt -50.66 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 74.14 110.959 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -37.02 34.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 73.04 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -98.9 77.5 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 75.51 110.886 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -51.87 110.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 74.04 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.6 t -117.94 109.99 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 62.23 111.119 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -87.19 169.82 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.35 110.935 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.8 t -149.36 108.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.5 103.82 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 60.51 111.1 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.77 169.07 17.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 64.13 110.907 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.82 -98.96 2.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 74.32 112.491 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -174.97 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.345 . . . . 63.04 111.094 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.26 141.52 12.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 75.24 112.447 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.7 tt -71.85 -35.43 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 74.1 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.89 167.39 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 72.1 111.094 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -102.58 -177.82 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 72.42 111.108 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 p -96.1 36.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 73.25 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -78.15 -43.71 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 73.12 111.167 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.59 -49.6 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.093 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.9 t -51.04 -65.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 63.1 111.143 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -51.78 -47.01 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.872 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -51.21 -32.12 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.41 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 -46.62 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 72.33 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.31 -33.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 74.32 111.148 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.42 -22.34 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -80.85 -44.07 18.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.48 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.842 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.03 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 73.2 111.135 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -74.01 -36.26 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.1 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.99 -39.01 93.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 74.34 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -81.07 -26.2 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.848 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 65.96 48.84 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.44 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 17.0 mt -103.62 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 73.25 111.118 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.67 75.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 75.51 110.888 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.33 124.85 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 73.12 111.105 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -110.21 75.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.13 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.5 mt -55.22 139.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 64.41 111.169 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.37 156.72 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.89 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -139.21 130.56 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.04 159.7 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 73.33 111.154 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -61.27 156.79 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 tp -50.23 -40.01 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 64.03 111.156 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -68.38 -33.28 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 71.52 111.125 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.89 -26.29 64.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 75.12 110.893 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.9 t -66.31 -26.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.136 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 63.42 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -23.39 30.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.657 2.238 . . . . 70.34 112.392 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.57 35.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 70.34 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -97.91 -43.71 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 63.04 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.71 -49.58 51.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 63.35 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -62.22 -50.34 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 74.4 111.114 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.26 146.24 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 73.05 111.09 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -49.85 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -123.99 108.14 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 75.41 110.886 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 48.3 tp -100.85 142.75 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 74.45 110.919 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -125.0 100.66 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.139 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -123.97 119.78 30.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.2 111.147 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 t -92.17 44.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 64.04 111.169 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.43 -175.07 4.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 62.44 111.083 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 ttt -62.49 141.47 58.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.874 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.58 117.15 18.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.135 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -122.04 -36.33 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.887 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.93 151.8 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.909 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -78.22 67.69 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -51.99 139.88 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.885 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -96.34 35.71 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.918 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.21 158.32 10.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 72.43 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 65.24 112.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.3 t -50.62 134.83 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.52 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.6 mt -117.28 105.22 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 70.14 111.114 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.26 133.64 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.1 39.64 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 71.25 111.045 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -52.51 -38.29 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 73.45 110.836 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -61.1 -36.37 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.904 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -65.62 -35.73 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tp -82.0 -33.06 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.0 t -156.84 112.5 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 63.34 111.178 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.05 -43.01 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 74.34 112.527 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mt 59.59 61.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 75.03 111.159 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.3 53.37 0.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.483 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 55.8 mt -50.9 -43.07 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 72.1 111.095 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.58 -38.58 55.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 72.53 110.91 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.88 -60.46 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 73.42 110.878 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.04 -40.76 86.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 71.32 111.14 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -35.37 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.897 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -55.39 -35.05 64.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 75.05 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -84.51 -51.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -53.86 -53.24 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.158 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.84 -34.44 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 m -53.09 -29.96 33.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 71.34 111.179 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -131.98 31.4 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 73.51 110.893 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.26 -34.83 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 75.33 110.936 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -119.71 -28.89 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.926 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.874 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 74.1 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -132.04 91.88 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 73.15 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -74.93 121.81 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.903 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -123.11 142.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.167 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.3 mt -98.87 169.63 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 70.54 110.902 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.43 101.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.149 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.52 99.26 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.103 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.58 -35.12 78.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 73.12 110.906 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.2 62.62 5.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 61.45 112.509 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.3 -71.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 70.05 111.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.71 -65.15 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 55.31 112.482 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.19 -64.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 75.23 111.114 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.68 146.81 37.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.41 111.086 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 p -104.17 164.07 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.146 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -66.33 100.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 64.45 110.849 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.78 -50.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 72.31 111.127 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.38 -53.7 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 74.24 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -51.61 -65.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.109 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.19 -53.64 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.872 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.19 -32.82 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 63.04 110.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.54 -38.8 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.52 -34.13 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 70.42 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.95 -32.77 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.41 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.31 -35.88 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.889 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 ptm -87.29 -40.62 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 65.24 110.842 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.94 -45.55 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 74.55 111.106 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -58.57 -37.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.5 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.06 -41.03 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -74.2 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 71.32 110.877 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.6 42.37 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 75.04 110.867 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 mt -98.04 150.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.54 111.105 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.98 61.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.866 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -124.22 121.76 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 54.12 111.107 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.85 133.22 52.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.831 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -89.09 145.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.51 111.128 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.32 149.06 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.908 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -122.71 120.55 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 70.32 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.16 171.57 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.152 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -82.94 161.69 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.45 110.901 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.0 tp -54.08 -36.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.23 111.121 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.9 p -94.71 28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 64.51 111.147 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -120.16 -24.34 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.879 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.3 p -68.61 -23.91 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 74.5 111.137 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -66.37 1.73 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 51.03 112.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -20.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 74.35 112.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -91.84 36.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 63.33 110.903 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -89.23 -36.29 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.78 -61.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -56.37 -51.51 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.34 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.99 119.57 23.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 73.32 111.111 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -84.31 -50.58 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 65.35 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.19 145.48 27.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.942 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.8 tp -136.64 146.17 45.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 75.41 110.944 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.3 t -142.59 120.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 71.21 111.155 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -148.27 159.96 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.114 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.1 p -100.55 -39.56 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.124 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.44 -179.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 62.13 111.079 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -59.72 163.6 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 71.01 110.888 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.09 103.88 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.02 111.178 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.41 110.914 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -108.65 50.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 70.15 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -127.94 34.83 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 62.21 110.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -111.44 147.0 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.916 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -108.35 42.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 75.15 110.891 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -168.13 158.0 8.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 74.14 110.933 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.757 2.304 . . . . 64.12 112.32 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.44 147.5 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.44 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.4 mt -131.51 119.96 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 72.43 111.164 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -63.35 137.49 58.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.08 34.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.12 111.089 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -61.42 -34.54 75.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.844 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.01 -30.84 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.34 110.852 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -88.83 45.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.88 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.43 -34.36 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.934 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -86.11 -63.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 75.43 111.198 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.01 -22.11 0.3 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 64.32 112.515 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.37 176.86 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 74.51 111.147 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.84 7.04 59.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 64.31 112.5 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.5 mt -60.82 -48.54 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.336 . . . . 62.21 111.136 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.49 -35.99 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.03 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -60.63 -68.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.899 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.4 m -56.6 -35.75 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 75.45 111.156 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.68 -34.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.9 -34.65 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -71.58 -49.04 44.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 62.54 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.0 mp -63.74 -49.28 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.125 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.0 tp -52.0 -35.77 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.13 110.976 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.3 m -51.27 -31.26 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 72.32 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.59 -41.09 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.9 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 60.9 mt -51.1 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.89 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -96.77 31.42 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.952 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 73.24 110.904 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.357 . . . . 74.43 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.9 mmmt -134.29 83.45 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.882 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -69.41 98.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 75.3 110.912 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.0 t -108.51 115.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 72.24 111.103 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.74 173.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 75.31 110.921 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -150.28 99.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.136 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -101.92 156.41 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.097 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -130.63 169.2 15.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 72.44 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.34 53.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 72.31 112.519 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 61.44 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.15 -124.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 70.55 112.447 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.2 mt -74.67 92.87 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 71.25 111.146 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.63 176.84 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 72.43 111.126 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.32 164.24 28.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 71.1 111.159 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 p -95.48 49.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 65.01 110.878 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 m -119.52 -41.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.132 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.05 -41.35 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 21.4 t -59.44 -60.77 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 64.53 111.145 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -58.59 -52.32 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.14 110.88 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.81 -29.01 17.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.912 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 -60.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.073 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.7 mm -51.69 -33.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.172 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.32 -32.58 62.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 72.34 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.898 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 ptp -92.33 -41.08 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.32 110.86 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.063 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -58.29 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 75.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -69.08 -36.06 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -73.2 -26.48 61.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.846 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.18 43.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.886 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 mt -106.04 151.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 71.42 111.162 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 73.57 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.911 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.03 129.27 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.104 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.28 78.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 70.3 110.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mt -55.57 133.15 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.4 111.121 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 147.11 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.903 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -123.03 129.17 51.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 75.44 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.46 174.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.163 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -82.05 161.23 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.894 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.91 -37.66 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -95.96 29.45 2.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.142 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -119.78 -23.11 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 62.24 110.855 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.5 -23.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 70.35 111.129 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.21 -67.07 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.32 112.509 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -21.29 33.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 74.32 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -92.34 37.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 73.05 110.882 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -99.41 -36.18 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 75.54 110.908 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.97 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.833 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.6 p -56.0 -51.43 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 74.41 111.119 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.32 141.68 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.109 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -89.74 -59.96 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 75.15 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mt -108.41 168.15 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.899 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 27.6 tp -148.94 137.13 20.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.918 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.5 t -135.98 112.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 75.41 111.113 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.6 t -142.35 143.1 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 60.54 111.133 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -64.18 -35.46 80.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.21 111.151 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.53 -171.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.077 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 ptp -148.32 -177.69 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 65.31 110.861 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.5 t -137.51 174.27 10.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 73.34 111.113 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -80.15 -35.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 75.31 110.847 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 64.0 110.921 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -104.48 110.22 22.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -70.8 150.28 46.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 61.21 110.957 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -100.32 36.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 74.34 110.928 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -165.73 158.16 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 73.14 110.841 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 79.95 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 71.43 112.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -52.66 147.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 75.2 111.141 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.9 mm -129.42 110.02 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.146 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.72 131.16 30.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.79 34.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.05 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -34.84 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 71.1 110.845 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.09 -30.92 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.04 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -90.45 45.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 74.03 110.909 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.49 -35.04 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 72.23 110.921 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -101.19 -39.79 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 73.33 111.14 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.27 31.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 73.13 112.463 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -158.29 176.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 72.44 111.174 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.69 37.68 89.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 75.01 112.495 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.8 mt -87.64 -33.48 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 72.33 111.091 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -72.29 -34.54 68.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.853 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.03 -33.67 75.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 72.1 110.888 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 54.5 m -93.46 -34.1 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.4 111.134 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -50.18 -45.57 53.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -50.36 -44.78 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.41 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.0 -46.21 82.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.951 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.1 mp -69.36 -53.95 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 61.32 111.138 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -50.06 -32.81 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.922 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.9 m -49.99 -30.26 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 75.31 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.18 -32.13 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.1 tp -49.43 -63.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.93 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.1 -38.9 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.85 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.808 0.337 . . . . 72.41 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -98.77 71.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 75.21 110.921 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.87 112.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.916 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.61 109.59 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 75.21 111.151 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -77.4 172.32 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 71.11 110.863 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.3 t -150.31 106.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 74.23 111.086 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.29 161.04 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.01 111.131 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -158.51 130.66 6.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 71.15 110.857 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.96 -50.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 55.4 112.463 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.88 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.878 0.371 . . . . 62.32 111.072 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 113.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.22 134.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 74.02 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 -174.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 61.43 111.072 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -128.22 104.34 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 p -68.61 87.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.891 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -121.04 -52.05 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 75.01 111.167 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.42 -40.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.21 -67.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 73.24 111.145 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -51.36 -42.47 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.904 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 74.01 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.72 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 64.43 111.091 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.0 mm -77.57 -38.34 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.54 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -64.73 -35.74 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 71.13 110.908 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -76.69 -34.97 58.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.0 -50.02 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.47 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -69.57 -43.61 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.07 -35.91 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -80.23 -28.67 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 71.53 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 65.48 45.18 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.865 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.4 mt -98.98 151.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 73.22 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -75.39 69.25 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.24 110.916 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.4 127.45 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.156 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.858 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -121.61 150.06 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 75.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -149.82 145.0 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.894 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -116.11 120.73 39.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 61.04 110.923 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -142.68 177.93 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.3 111.153 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.03 166.45 11.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.931 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 mp -56.54 -28.48 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.34 111.127 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -81.71 -27.58 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.1 111.141 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.48 -23.84 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 53.12 110.897 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -68.26 -20.97 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.143 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.63 -67.4 1.68 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.552 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.04 35.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 74.55 112.312 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.41 34.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.99 -59.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.42 -51.37 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 72.35 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -53.46 -54.38 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 64.52 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.68 165.83 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.119 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.05 -49.79 3.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.875 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.88 150.33 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.35 110.904 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.2 tp -140.03 146.06 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 73.3 110.885 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.9 t -137.78 121.53 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 65.33 111.147 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -149.93 147.86 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.169 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -98.09 36.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 74.45 111.11 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.75 -172.33 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.13 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.83 164.63 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 65.41 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -161.26 160.8 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 75.45 111.21 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -89.4 49.24 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.889 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 51.85 52.83 13.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 75.33 110.896 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -113.17 36.31 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 70.25 110.902 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -119.2 144.75 46.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.9 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -101.87 39.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.907 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.48 158.41 4.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 52.15 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.95 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 75.1 112.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.9 t -57.68 139.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.139 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.7 mm -115.51 107.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.154 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -63.33 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.13 35.81 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.23 111.127 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -42.01 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.54 110.887 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.15 -35.16 59.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.34 110.929 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -58.73 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 75.45 110.875 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 34.51 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.5 p -128.03 -39.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.11 36.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.683 -0.77 . . . . 73.22 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.4 mt 51.8 60.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 72.41 111.122 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.79 42.23 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 52.25 112.475 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.4 mt -69.55 -34.67 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 74.43 111.131 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -51.66 -35.62 43.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.57 -43.73 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.5 m -58.76 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.55 111.14 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -51.8 -35.17 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.914 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -60.23 -35.77 76.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.13 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -76.61 -52.11 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.904 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.82 -48.07 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.14 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.69 -34.66 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 m -49.79 -33.88 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.02 111.175 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -105.4 -34.76 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 72.32 110.909 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.1 tp -51.26 -62.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 74.42 110.888 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -97.36 -34.13 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.909 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.7 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.908 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.829 0.347 . . . . 73.33 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -97.61 155.69 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.5 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -134.27 119.22 18.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.17 118.1 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 73.14 111.125 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -81.63 178.83 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 71.21 110.903 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -150.29 90.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 75.11 111.133 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.4 92.26 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 70.44 111.101 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t -128.72 116.8 20.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 62.4 110.885 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.38 80.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 75.35 112.467 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.74 111.74 22.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 70.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.01 -73.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 51.43 112.49 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -118.26 -42.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 71.41 111.136 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 155.14 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 62.22 111.089 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 t -137.27 145.02 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 63.42 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -82.05 111.45 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 55.51 110.87 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -123.78 -55.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 64.42 111.143 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -51.91 -52.39 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.121 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.65 -64.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 72.14 111.111 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -51.87 -56.27 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.945 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -50.88 -32.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.32 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.06 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 70.42 111.092 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.6 mm -57.82 -52.05 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.157 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.74 -34.18 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.42 110.866 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.26 -38.07 68.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.916 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 mmt -72.75 -50.7 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.914 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.41 -34.53 35.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.32 111.057 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -64.87 -42.54 94.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 65.22 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.07 -35.69 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.13 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -82.89 -30.34 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 74.42 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 65.06 45.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.3 mt -96.01 155.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 62.21 111.154 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 59.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 74.12 110.92 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -105.49 127.31 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.1 111.149 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -103.02 99.78 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 63.35 110.849 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.35 139.13 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.33 111.149 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -143.44 145.82 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.35 110.909 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.69 122.36 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.4 110.926 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.48 178.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 72.11 111.087 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -95.55 158.26 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 75.45 110.883 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.1 tp -51.71 -30.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.161 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.17 -30.05 31.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.153 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -95.8 28.52 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 75.13 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.5 p -120.95 22.15 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 73.02 111.122 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.81 -67.85 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -19.46 36.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 75.52 112.383 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -92.86 38.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.908 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -107.12 -36.11 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 73.04 110.929 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.35 -43.99 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -52.94 -54.75 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 61.22 111.11 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 159.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 72.34 111.084 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.78 -38.86 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.82 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -130.61 169.13 16.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 64.45 110.92 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.9 tp -163.6 136.87 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.939 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 29.5 t -117.98 119.57 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 71.11 111.139 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -139.67 148.61 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 70.24 111.155 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -76.88 -35.95 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.05 111.189 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.02 158.17 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -89.48 176.68 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -135.13 173.68 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.156 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -74.2 -36.72 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 75.21 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -54.81 172.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.932 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.0 112.88 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 73.53 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -79.66 135.05 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 74.55 110.952 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -96.18 36.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 75.01 110.899 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -162.03 157.81 20.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.691 0.757 . . . . 74.24 110.869 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 71.5 112.4 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -53.47 146.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.54 111.081 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.93 148.45 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 72.54 111.159 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -86.82 138.42 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.883 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.34 35.85 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 64.21 111.092 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -64.21 -36.09 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.51 110.818 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.38 -33.72 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -68.36 -29.31 68.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.913 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -35.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.955 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 t -96.42 -33.05 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 62.42 111.159 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.62 32.64 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 74.41 112.476 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.3 mm -139.54 147.91 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 75.22 111.136 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.01 48.95 30.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 64.43 112.513 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.4 mt -85.9 -34.38 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 72.21 111.163 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -69.5 -43.5 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.25 110.891 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.48 -46.5 73.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 65.42 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.4 m -78.87 -36.98 41.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.3 111.115 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -51.86 -33.58 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.849 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.26 -34.95 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -71.02 -51.24 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.5 mp -64.68 -48.16 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 72.11 111.121 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.7 tp -51.51 -34.01 34.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.898 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -52.03 -30.34 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 62.24 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -112.8 29.11 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 63.13 110.893 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 81.5 mt -126.14 -35.54 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 74.03 110.896 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -115.61 -25.17 7.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.53 110.894 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.922 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 70.31 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -122.42 79.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 75.11 110.849 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.77 123.14 14.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.95 133.5 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 64.45 111.086 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 mt -89.53 175.45 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.867 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -150.17 87.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 64.34 111.16 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.54 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 74.52 111.096 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -169.4 165.38 10.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.87 50.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 74.13 112.497 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.09 36.08 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 72.34 111.091 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.86 36.09 54.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 73.12 112.536 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -97.14 149.46 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 74.44 111.155 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.7 -59.69 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.34 111.051 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -159.61 162.67 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 72.24 111.137 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.4 p -98.46 42.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 65.13 110.829 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -47.65 24.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.185 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.8 -47.0 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.02 111.148 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.96 -68.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.137 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -51.72 -40.09 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.25 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.54 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.73 -41.2 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.102 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.6 mm -68.12 -49.48 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.098 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -35.64 37.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 71.1 110.868 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.87 -39.6 66.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 64.05 110.927 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtt -68.38 -49.46 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.59 40.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -46.27 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.885 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.02 -37.58 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 64.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.64 -30.44 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.854 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 64.83 42.28 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.02 149.54 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 71.11 111.147 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.36 65.52 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.891 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 p -118.23 142.34 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.1 111.116 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.71 123.78 46.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 75.1 110.908 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.6 mt -86.11 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.116 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.63 139.31 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.906 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.02 123.57 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 64.13 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -140.69 168.56 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 74.13 111.149 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 160.2 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.879 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 tp -52.25 -38.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 73.45 111.105 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.5 p -94.87 28.97 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.142 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -119.63 -21.87 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.41 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.8 p -68.73 -24.09 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.24 111.095 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.14 -66.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 71.52 112.527 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -20.96 34.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 75.21 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -92.06 37.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.955 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.59 -35.94 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 75.43 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.8 -65.05 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 72.53 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.74 -42.76 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 65.35 111.104 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.2 144.03 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 70.45 111.092 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.23 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 64.11 110.88 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.71 137.24 36.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.895 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 19.1 tp -127.28 117.59 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.936 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -113.25 111.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 74.5 111.139 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.7 t -151.75 143.69 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.45 111.175 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -64.03 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 75.53 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.52 -169.86 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 64.1 111.108 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ptm -156.41 172.99 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 62.14 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 66.3 p -104.35 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.25 111.101 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -36.27 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.55 177.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.87 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.91 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.22 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -62.7 160.74 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.42 110.895 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 35.99 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 74.2 110.873 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -169.83 158.1 6.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.741 . . . . 73.35 110.876 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.686 2.257 . . . . 75.21 112.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 47.7 t -61.19 146.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.119 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mt -130.29 130.16 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.34 111.087 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -87.76 123.51 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.15 44.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.108 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -61.48 -40.04 93.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.862 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -52.78 -41.04 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.9 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -55.0 -35.27 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.914 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.13 -34.59 17.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 t -154.98 112.38 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 72.21 111.183 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.92 -36.81 1.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 71.35 112.517 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm 56.02 62.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 74.35 111.085 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.37 49.85 0.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 54.14 112.485 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 70.2 mt -51.35 -52.26 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 62.14 111.136 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.72 -36.0 45.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.48 -39.76 92.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.45 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.22 -43.67 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 64.33 111.14 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.78 -34.94 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 74.44 110.945 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.5 -35.54 74.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.977 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -77.68 -51.93 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 72.35 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -58.22 -50.12 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.41 111.17 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.89 -34.58 41.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 75.55 110.923 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 m -50.31 -33.9 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 70.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.58 -39.61 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.89 -55.17 38.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 74.12 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -36.21 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.928 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 71.24 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.7 mmmt -78.79 86.46 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 75.3 110.932 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -62.16 125.77 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 73.1 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.65 137.69 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 74.14 111.131 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.6 mt -97.59 172.59 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 74.33 110.934 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -149.85 106.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 65.14 111.157 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.58 175.67 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.4 p -158.18 172.65 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.896 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.16 147.82 18.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 75.3 112.507 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.84 104.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 74.02 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.1 -167.54 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 61.33 112.49 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.4 mp -78.84 -58.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 71.15 111.11 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.42 144.92 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 73.12 111.122 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 p -97.5 -179.3 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 73.52 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 p -105.71 42.48 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.866 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -89.73 -49.74 6.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 71.54 111.13 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.3 t -51.56 -47.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 75.23 111.095 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.6 t -54.01 -67.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -51.62 -55.15 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.89 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -51.57 -33.81 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.924 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.48 -55.53 5.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 54.53 111.11 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.2 mm -55.41 -53.17 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 73.4 111.129 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.36 -33.75 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -71.45 -35.89 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 73.32 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mtt -76.0 -49.03 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.55 110.872 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.79 60.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.13 111.13 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -60.47 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 74.52 110.912 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.08 -35.58 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 75.12 110.853 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -75.32 -27.44 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 74.1 110.825 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 65.84 43.91 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.26 152.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -73.65 74.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.879 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.76 137.19 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 75.01 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.89 83.54 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 72.34 110.894 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 81.8 mt -61.66 143.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 75.24 111.104 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -151.58 137.23 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 74.44 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -114.85 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 73.55 110.929 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.09 172.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 65.13 111.144 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -82.36 162.58 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.876 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.28 -28.74 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 71.34 111.141 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.6 p -98.48 25.94 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.141 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -121.89 -24.48 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.9 p -68.4 -23.97 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 72.2 111.138 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.32 -66.78 1.58 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 63.42 112.437 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.44 33.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 74.3 112.321 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.39 37.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 71.43 110.956 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -91.89 -36.27 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.21 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.07 -64.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.835 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -51.77 -55.69 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.11 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.14 130.91 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.132 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.38 -64.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -96.22 155.25 16.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 74.01 110.876 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.1 tp -149.03 126.13 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.932 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 37.8 t -122.55 120.92 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.53 111.156 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 t -153.01 149.57 28.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.171 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -66.56 -35.92 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.111 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.55 -170.01 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 75.03 111.076 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 ttm -165.14 167.68 17.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.0 p -111.55 -176.24 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 72.03 111.111 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -95.76 77.1 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 71.34 110.926 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp 52.03 55.6 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 74.34 110.932 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.86 36.14 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.845 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -126.06 130.86 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 74.05 110.923 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -94.69 38.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 75.33 110.864 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.98 158.03 9.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 72.33 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.41 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 73.43 112.379 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.18 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 64.03 111.133 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 25.9 mm -123.5 112.22 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.112 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -51.69 137.85 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.897 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.11 34.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 74.13 111.073 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -74.56 -35.05 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.884 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.9 -27.75 68.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 73.22 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -89.24 44.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 75.44 110.868 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -145.28 32.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 72.03 110.947 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.0 p -132.26 -54.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 74.41 111.131 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.07 -31.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 71.01 112.482 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 6.6 mt -142.68 34.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.895 0.378 . . . . 72.52 111.139 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.19 65.43 0.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 42.21 112.454 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 39.6 mt -125.6 -54.34 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 71.23 111.114 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -50.7 -35.68 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 61.42 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.64 -51.16 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.866 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 m -69.92 -44.56 69.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.2 111.148 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.36 -34.25 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 74.4 110.895 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.12 -35.43 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 75.15 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -75.29 -51.67 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 75.45 110.919 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mp -60.51 -38.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.159 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.07 -35.67 79.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 75.15 110.893 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.49 -34.53 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 73.33 111.201 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -100.45 -36.44 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.897 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.3 tp -53.24 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.923 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -105.64 32.49 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.949 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.852 0.358 . . . . 75.14 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.21 91.84 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.38 114.01 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.3 t -118.34 141.83 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 62.41 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.5 mt -99.54 169.54 9.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.883 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -148.0 90.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.31 111.121 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.64 157.67 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 75.1 111.128 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p -171.8 133.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 65.55 110.863 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.51 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 65.33 112.484 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 -53.13 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 62.44 111.133 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.53 42.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 75.12 112.459 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -141.57 149.42 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.36 . . . . 65.42 111.128 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.61 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 74.04 111.092 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.41 151.46 38.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.43 111.121 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 p -76.17 81.42 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -88.18 -51.68 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.21 111.12 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.67 -48.19 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 72.41 111.105 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.37 -66.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 72.42 111.112 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -52.09 -42.54 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.851 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.87 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -43.79 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.14 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.2 mm -66.52 -50.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 63.23 111.15 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -51.34 -35.92 40.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 63.3 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -70.5 -36.86 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 74.34 110.882 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mtt -73.19 -48.88 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.15 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.29 -43.08 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.113 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -58.88 -44.74 91.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.12 110.886 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.5 -35.72 78.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.21 -27.94 47.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 73.02 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 65.52 45.38 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mt -105.83 151.87 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 75.03 111.12 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 73.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.953 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.1 t -107.27 134.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.03 111.132 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.6 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.899 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.4 mt -67.97 135.71 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.43 111.15 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.5 151.6 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 74.41 110.912 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.67 132.21 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 74.15 110.962 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.34 171.97 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.152 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.29 161.55 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.911 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.3 tp -54.36 -37.09 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 65.05 111.155 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.5 p -95.03 28.15 2.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 72.34 111.123 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -119.12 -23.34 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 74.35 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.0 p -68.7 -23.55 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 71.24 111.132 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -66.82 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 70.44 112.526 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.24 33.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 70.41 112.339 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -92.23 37.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.941 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.01 -35.74 11.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 73.32 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.8 -64.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.75 -42.73 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.145 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.42 142.0 39.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.101 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -96.91 -60.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.85 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.7 149.72 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.896 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 31.7 tp -140.7 138.53 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 75.15 110.905 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.25 125.15 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.21 111.121 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -149.64 162.95 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.4 111.124 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p -111.34 -36.24 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 61.13 111.149 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.97 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 51.01 111.087 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.26 161.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.54 100.59 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 72.55 111.145 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -60.98 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 65.23 110.854 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -111.15 70.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.44 110.897 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -150.17 35.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.26 133.52 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.918 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -96.07 37.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.49 157.92 13.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 72.33 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 87.64 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.01 112.375 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.04 147.62 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 75.44 111.172 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -128.55 129.11 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.11 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -74.99 140.02 43.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 75.12 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.79 35.52 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.04 111.055 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -72.56 -37.96 68.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -52.24 -35.77 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -62.06 -35.9 80.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.88 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.4 -35.07 21.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.929 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.0 t -145.93 107.07 4.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.14 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.8 -39.08 1.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 74.12 112.539 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt 56.21 57.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 74.12 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -144.98 51.68 0.61 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.735 . . . . 73.13 112.517 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.3 mt -51.15 -38.07 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 75.54 111.126 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.86 -36.0 71.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.79 -54.93 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.1 m -67.41 -46.97 71.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 74.41 111.154 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -34.74 40.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.42 110.863 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -61.79 -35.31 77.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -75.42 -52.07 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.942 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.8 mp -60.89 -47.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 72.22 111.171 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.21 -40.86 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 74.51 110.874 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.1 m -49.91 -31.01 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 73.24 111.149 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.14 -49.72 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -51.5 -45.91 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.957 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.7 -47.33 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 75.4 110.936 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.865 0.364 . . . . 75.34 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -118.22 80.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.43 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.39 99.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 62.33 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.8 t -112.57 130.43 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.01 111.131 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.71 174.72 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 74.32 110.881 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.2 t -149.79 102.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.52 111.171 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -133.75 102.64 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.083 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -84.71 -171.79 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.843 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -129.82 61.05 0.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 71.31 112.511 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.72 135.07 51.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 75.12 111.141 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.26 71.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 40.32 112.472 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -75.17 -37.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 75.31 111.156 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.04 52.87 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.2 111.128 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -99.73 43.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 63.43 111.114 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -77.23 73.23 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.88 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -109.86 -50.59 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.42 111.157 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.76 -45.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 62.04 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.63 -64.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 65.31 111.115 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.24 -56.98 12.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.86 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -51.15 -34.03 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.18 -58.03 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 72.54 111.083 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.0 mm -54.96 -53.77 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.5 111.143 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -51.11 -33.21 25.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 71.35 110.903 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -74.38 -35.98 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.849 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 mmt -73.68 -49.01 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.934 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.0 -43.26 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 71.11 111.081 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -57.66 -44.08 85.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 72.3 110.888 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -60.35 -35.72 76.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.851 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -80.22 -26.87 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.892 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 65.91 47.79 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.941 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.28 152.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -73.79 74.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.854 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.6 t -109.16 137.07 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 71.43 111.119 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.3 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.05 138.7 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 74.45 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.68 157.52 46.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.861 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -142.64 108.41 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.884 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.13 171.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.12 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.5 mttp -69.52 150.84 46.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.909 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.9 mm -47.36 -54.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.155 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -61.45 -30.24 70.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 73.45 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -11.79 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.1 t -89.86 36.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.109 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.24 -66.79 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.31 112.528 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -18.95 36.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 74.1 112.385 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -92.66 37.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.914 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -93.93 -51.09 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.929 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.49 -48.87 9.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 65.35 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -51.81 -57.56 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.172 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 158.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 73.01 111.109 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.8 -52.14 3.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 64.02 110.807 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.6 mt -134.67 168.34 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.885 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.7 tp -153.37 119.74 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 74.54 110.928 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.1 t -100.2 129.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.44 111.147 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -155.51 159.69 39.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 71.25 111.172 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.0 p -101.73 -41.03 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 74.21 111.142 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -52.56 156.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.131 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.83 75.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.51 110.834 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.4 159.96 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 74.4 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -109.95 -36.32 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -52.49 162.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.916 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -91.89 94.54 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 75.51 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -59.4 166.25 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.944 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -108.5 38.77 2.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.955 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.79 159.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 74.35 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.41 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.739 2.292 . . . . 74.21 112.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.2 t -51.6 137.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 74.11 111.146 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mt -111.51 116.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 61.53 111.098 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -57.41 129.2 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.32 110.866 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.06 35.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 63.24 111.086 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -71.05 -35.41 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.03 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -65.63 -20.67 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.04 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -90.1 39.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 73.35 110.887 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -134.75 -63.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 74.43 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 t -146.22 33.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.03 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.04 -31.71 2.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 75.14 112.54 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt 53.32 44.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 63.42 111.163 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.25 44.55 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 62.44 112.448 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 56.0 mt -51.37 -35.13 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 72.42 111.124 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -54.88 -35.65 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 65.23 110.913 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.42 -33.1 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 72.41 110.878 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 m -85.95 -31.6 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 72.22 111.165 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.36 -52.68 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 75.33 110.875 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -51.62 -42.18 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.871 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.7 mp -69.07 -52.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.03 111.106 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 13.2 tp -50.49 -32.64 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.941 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.6 m -49.82 -31.2 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 75.32 111.143 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.1 -32.62 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.899 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 tp -49.84 -57.74 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 70.44 110.93 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -114.95 32.82 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 72.05 110.966 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 74.5 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -118.64 83.41 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -58.73 112.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 65.44 110.936 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 95.3 t -118.87 140.18 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.127 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 36.0 mt -97.02 176.26 6.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.93 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -150.0 106.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.04 111.149 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.32 79.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.098 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -118.87 63.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 73.15 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.22 133.96 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 74.32 112.47 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.26 66.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 73.55 111.108 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.27 -79.44 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 63.42 112.477 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -93.5 92.14 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 75.32 111.116 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.47 153.94 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.113 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -93.88 -35.61 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 p 52.56 36.45 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.824 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -104.33 -35.59 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.42 111.146 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.64 -50.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.11 111.135 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.1 t -56.27 -61.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 70.52 111.139 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -52.01 -60.11 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.4 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -51.72 -34.53 39.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 73.51 110.932 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.84 -56.81 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 74.54 111.081 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.8 mm -55.28 -54.86 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 74.45 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -52.28 -33.6 42.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 72.12 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.95 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 mmt -88.34 -43.63 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 74.44 110.904 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.52 -40.09 58.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.158 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.51 110.907 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -78.95 -35.87 42.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -75.09 -29.93 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 73.4 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 65.2 40.45 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 55.25 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.8 mt -96.18 150.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.45 111.149 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.78 67.3 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.943 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.73 126.22 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 72.23 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 105.79 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.852 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.6 mt -73.0 143.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.153 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -147.69 134.87 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 74.02 110.896 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.67 131.03 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -143.7 177.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.42 111.104 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -79.33 154.23 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 74.25 110.893 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.3 tp -50.67 -29.83 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 72.13 111.123 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.8 p -86.47 -31.8 21.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -25.66 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.868 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.46 -27.36 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.11 111.132 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.59 -68.06 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 65.44 112.458 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -22.39 31.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 72.03 112.316 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.71 35.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.959 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.64 -42.49 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 75.43 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -72.08 -59.37 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 73.42 111.127 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.99 141.31 58.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.07 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -97.27 -48.82 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 73.22 110.825 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.5 139.78 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 74.3 110.877 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 26.4 tp -129.66 132.72 46.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.947 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.2 t -128.83 120.81 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.117 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 t -150.77 150.57 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 72.52 111.159 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.3 p -81.99 -38.64 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 75.41 111.152 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.9 -175.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 72.13 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 mtm -117.4 -175.42 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 71.33 110.859 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.0 163.14 40.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 61.23 111.112 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -113.79 -36.07 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -52.67 170.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 75.35 110.866 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.29 106.02 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 73.34 110.883 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -75.82 156.94 33.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 75.32 110.936 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -115.78 35.84 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 74.41 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -168.46 158.03 8.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 74.42 110.884 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.19 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 53.14 112.38 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.4 t -61.26 147.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 74.23 111.128 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.93 138.51 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.141 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -77.41 141.79 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.931 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.93 35.18 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 74.45 111.115 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -59.62 -48.21 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.43 110.891 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -53.0 -28.98 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.827 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -88.59 45.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.23 110.881 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 tp -94.22 -34.96 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 74.4 110.911 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -122.23 -34.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.43 111.142 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.96 41.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 43.14 112.49 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.6 mt -146.23 143.93 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 74.24 111.158 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.49 71.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 64.14 112.456 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 85.6 mt -56.93 -38.82 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 75.03 111.12 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.0 -34.61 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 75.33 110.918 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.12 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.22 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.6 m -70.25 -43.28 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 74.51 111.138 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -51.39 -35.3 38.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.89 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.05 -35.82 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -72.08 -49.48 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 72.51 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mp -62.48 -40.89 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 74.03 111.112 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.52 -35.14 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 75.53 110.873 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.05 -30.21 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 74.1 111.121 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.12 -45.45 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 71.24 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.3 mt -51.14 -42.56 60.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 72.15 110.907 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.89 -46.96 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 75.33 110.919 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.917 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 74.24 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -127.46 78.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.937 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.64 114.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 73.15 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 98.7 t -119.98 125.67 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.158 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.8 mt -94.13 168.89 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 72.31 110.912 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.5 t -150.4 82.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.148 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.35 83.19 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 62.44 111.076 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.02 -40.05 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 75.33 110.892 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.57 94.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 62.55 112.444 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.95 143.28 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 74.24 111.131 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.38 -37.76 48.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 53.5 112.482 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.03 -36.32 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 74.32 111.149 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.61 51.76 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.35 111.101 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -111.71 70.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 65.4 111.19 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -97.84 37.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.04 110.845 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -38.01 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 74.14 111.127 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.54 -35.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.071 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.1 t -70.88 -63.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 74.12 111.13 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -51.61 -43.79 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 65.13 110.886 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.14 -29.33 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.38 -40.41 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 72.41 111.121 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.4 mm -68.51 -38.03 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.31 111.123 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -35.37 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 74.25 110.857 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.51 -45.28 87.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.2 ptp -76.6 -42.13 43.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.41 110.891 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 64.13 111.066 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -60.95 -38.73 86.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.946 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.2 -36.53 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 72.41 110.887 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.59 -29.62 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.839 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 65.44 42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.85 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mt -96.04 149.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.3 111.156 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -76.84 62.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.3 110.897 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.99 129.86 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 45.43 111.137 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.57 86.89 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.862 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.0 mt -61.21 144.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 73.11 111.174 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.79 -177.95 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.844 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -164.2 130.12 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 73.22 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.57 -175.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 75.32 111.147 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -90.53 158.46 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.41 110.877 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.7 tp -51.95 -28.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.11 111.104 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.5 p -85.29 -31.42 23.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.129 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -71.85 -28.45 63.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 72.14 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.9 p -71.3 -17.4 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.52 111.097 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.75 -66.94 1.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 74.4 112.534 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.02 36.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 62.43 112.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -92.37 37.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.51 110.899 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -93.39 -36.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -80.96 -53.69 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.05 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 p -55.19 -61.21 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.154 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.48 47.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 75.45 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -96.18 -36.94 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -131.86 132.17 43.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 74.34 110.924 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 32.0 tp -130.72 131.93 45.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 72.3 110.9 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.9 t -123.95 118.05 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 75.22 111.118 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -121.42 137.2 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.179 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -60.81 -42.5 97.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 75.3 111.17 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.69 152.03 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 74.25 111.093 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -72.81 158.61 35.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 75.22 110.928 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -151.2 167.49 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 64.01 111.109 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -139.88 105.46 5.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.41 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.42 168.12 27.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 75.42 110.898 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -79.49 63.99 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 74.45 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -71.54 152.86 42.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.919 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -105.29 37.75 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 74.04 110.893 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.67 157.99 9.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 74.34 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 82.14 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.239 . . . . 74.55 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.6 t -52.78 143.07 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 73.33 111.087 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.7 mm -131.0 143.62 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.123 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -84.16 138.5 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.22 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -107.09 35.2 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 74.21 111.076 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.92 -35.87 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 72.13 110.874 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -58.6 -35.74 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 65.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -63.07 -35.8 81.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 74.01 110.871 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.58 -35.47 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.878 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.2 t -148.84 108.53 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 72.51 111.137 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.37 -35.16 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 75.4 112.471 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.0 mp 51.88 54.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 75.25 111.104 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.36 51.38 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 73.53 112.512 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.6 mt -51.33 -34.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 72.44 111.123 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.31 -35.5 79.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.52 -55.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 75.11 110.863 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.29 -51.7 34.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.126 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 9.3 tptm -53.06 -32.22 45.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 70.21 110.881 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -32.48 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 71.44 110.928 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -91.68 -51.43 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 74.34 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mt -55.18 -34.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.53 111.139 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.27 -23.8 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.902 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.8 m -50.72 -33.21 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.54 111.139 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -91.78 -32.59 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.914 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mp -50.96 -36.18 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.3 110.883 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 70.44 110.873 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 62.43 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -84.33 69.99 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.891 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.34 115.26 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.42 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.0 t -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 71.31 111.119 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mp -115.99 171.63 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.961 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -147.06 108.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.119 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.42 75.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 72.53 111.086 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.0 m -92.49 159.26 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 51.25 110.901 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.74 2.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 70.32 112.515 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -172.84 157.02 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 65.22 111.092 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.74 56.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 54.41 112.455 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -118.75 -37.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 75.21 111.108 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.72 78.08 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 70.03 111.067 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.7 p -67.36 -176.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 70.12 111.135 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p -94.88 38.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.838 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.37 -38.75 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 70.14 111.153 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.04 -39.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.1 t -59.8 -63.99 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.093 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.46 -45.34 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.898 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -52.4 -28.36 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.873 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.06 -58.17 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.094 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 49.5 mm -50.83 -31.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 75.31 111.12 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -38.1 88.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.84 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.1 -30.27 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 40.4 mtt -76.68 -57.66 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.832 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.99 -34.94 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 62.52 111.115 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -65.92 -42.72 89.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.94 -39.06 90.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.2 110.924 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.8 -27.26 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.77 42.63 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.1 149.64 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.143 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -76.11 67.98 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.863 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -130.39 127.9 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.119 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -96.12 159.0 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.42 110.873 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.66 136.2 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 64.14 111.119 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.69 170.81 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.92 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -157.33 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -142.47 178.28 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.35 111.146 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -99.09 163.87 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.5 110.922 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -52.82 -27.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 64.2 111.102 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.9 t -82.57 -30.99 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.167 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -95.53 27.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.2 110.863 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 5.5 p -121.82 22.28 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 72.3 111.145 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.3 -68.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 62.22 112.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.77 35.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 75.3 112.346 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.91 38.33 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 75.31 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -93.5 -36.74 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 71.45 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.64 -36.89 4.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 65.22 110.86 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.9 p -51.57 -47.68 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.22 111.167 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.31 120.42 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 74.25 111.093 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.94 -35.81 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 75.24 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.49 133.13 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.922 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.5 tp -126.36 133.06 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.94 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.43 122.57 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 70.33 111.101 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 t -140.91 161.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.53 111.147 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.3 t -120.65 -33.63 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 71.34 111.144 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.94 -169.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mmt -101.38 149.45 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.866 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.9 m -161.38 157.05 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 74.15 111.124 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -68.31 -174.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -103.32 69.57 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 74.23 110.933 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -136.05 46.67 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 73.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -111.06 131.72 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.52 110.926 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -95.36 36.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -162.65 157.92 19.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 73.53 110.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 72.44 112.346 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.7 t -51.75 144.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 73.31 111.138 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.3 mm -115.0 126.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 65.31 111.091 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -66.06 134.33 52.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.899 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -116.12 35.64 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 74.41 111.09 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -54.18 -35.95 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.859 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -73.69 -34.89 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.14 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -64.21 -30.51 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 74.02 110.884 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -34.83 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 74.41 110.896 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.0 t -102.05 -33.5 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 75.22 111.185 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 99.1 31.99 6.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 70.43 112.487 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.9 mm -141.48 145.2 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 75.11 111.131 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.96 43.3 49.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 65.24 112.489 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 74.2 mt -74.88 -47.8 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 71.23 111.128 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -52.02 -35.89 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 75.05 110.912 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.64 -37.74 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.908 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 m -87.98 -37.68 16.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 64.24 111.115 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -51.54 -32.24 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.923 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -57.63 -34.21 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 65.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -81.64 -51.81 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.862 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.4 mp -57.3 -52.16 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.54 111.127 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.18 -32.4 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 70.22 110.933 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -49.91 -30.93 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.45 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.54 -31.89 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 75.35 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.0 tp -50.55 -45.06 56.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 64.24 110.958 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.75 -35.14 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.947 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 75.22 110.893 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 72.41 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HE2' HD23 ' A' ' 90' ' ' LEU . 3.7 mmmm -117.89 115.36 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -97.0 104.69 16.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.703 HG22 ' HB2' ' A' ' 52' ' ' LEU . 21.8 t -108.52 120.7 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 61.43 111.093 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 46' ' ' TYR . 11.0 mp -87.03 172.65 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.899 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.25 109.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 74.23 111.08 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.72 109.22 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.45 111.1 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.4 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 73.42 110.903 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.906 0.384 . . . . 62.0 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -88.13 -58.01 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.01 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.48 -48.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 73' ' ' PHE . 24.9 t -55.28 -61.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.17 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.03 -58.43 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -51.32 -32.59 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.729 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -74.8 -61.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.53 111.085 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.649 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 49.4 mm -51.38 -53.72 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 60.14 111.115 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -51.13 -33.03 24.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.864 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -73.1 -37.0 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.928 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 mmt -74.34 -49.6 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 64.51 110.828 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.35 -37.92 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 74.51 111.079 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -49.71 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 71.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.09 -36.79 71.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -77.98 -26.4 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.851 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.42 46.61 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.32 110.914 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.39 149.23 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.22 111.117 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -75.52 70.51 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.931 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 p -124.07 143.77 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 73.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -129.03 121.44 27.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 63.13 110.855 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.6 mt -79.75 143.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 64.14 111.15 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -126.71 141.74 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.931 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -121.31 122.6 40.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.915 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.574 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.01 172.2 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 73.52 111.155 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -82.85 162.43 21.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.52 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.662 HG23 HG23 ' A' ' 41' ' ' THR . 6.2 tp -54.65 -37.21 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.147 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.662 HG23 HG23 ' A' ' 40' ' ' ILE . 33.7 p -94.55 28.33 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 64.3 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -119.77 -20.94 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 54.32 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 53' ' ' LEU . 6.6 p -66.91 -25.24 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 62.45 111.159 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.67 -67.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 74.22 112.51 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -22.25 32.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 65.34 112.354 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.476 ' HB3' HD21 ' A' ' 5' ' ' LEU . 15.5 m-85 -92.29 37.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.918 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -96.85 -35.49 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.42 110.853 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -76.59 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.31 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.71 -43.44 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.171 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -68.71 167.29 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 65.54 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.498 ' C ' HD22 ' A' ' 52' ' ' LEU . 8.5 t0 -120.37 -51.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.703 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.6 mm? -121.05 152.32 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 62.13 110.943 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 43' ' ' VAL . 27.7 tp -137.62 143.83 41.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.923 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 68' ' ' ILE . 43.8 t -136.98 127.01 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.35 111.115 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -144.17 152.13 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 52.25 111.17 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 70' ' ' ALA . 30.4 p -80.12 -41.2 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.142 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.097 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.905 0.384 . . . . 72.14 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -111.6 37.31 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.917 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.65 158.04 16.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 74.44 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 75.12 112.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.04 144.06 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 64.03 111.13 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' ' 54' ' ' VAL . 39.3 mm -122.41 114.29 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 74.13 111.179 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -51.98 141.81 17.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 51.1 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.654 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -95.05 35.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 111.091 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -72.83 -34.53 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 71.5 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.91 -30.53 71.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.887 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.705 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 61.0 m-85 -89.45 45.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.865 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.907 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.439 -0.264 . . . . 71.22 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.729 HD13 ' HB1' ' A' ' 21' ' ' ALA . 49.3 mt -75.64 -47.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 61.11 111.161 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -51.55 -35.57 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -55.98 -68.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.852 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.605 HG22 ' CD1' ' A' ' 86' ' ' ILE . 3.8 m -61.94 -39.06 90.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 50.12 111.131 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -51.2 -38.46 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.906 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.92 -35.3 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 62.03 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -71.92 -52.12 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.952 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.605 ' CD1' HG22 ' A' ' 82' ' ' THR . 3.8 mt -64.35 -35.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 53.14 111.126 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.4 tp -68.47 -27.77 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.9 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.7 m -51.01 -34.13 27.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 74.34 111.129 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.653 ' OE1' HD21 ' A' ' 52' ' ' LEU . 11.2 pt-20 -95.24 -36.87 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 87' ' ' LEU . 60.2 mt -53.11 -52.51 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.32 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.53 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.8 pp0? -116.32 33.8 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 60.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 51.3 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.536 ' HG3' HD13 ' A' ' 90' ' ' LEU . 21.6 mmmt -100.47 166.68 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.899 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -142.54 108.55 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 70.14 110.935 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.485 HG21 HD21 ' A' ' 90' ' ' LEU . 88.1 t -114.2 102.68 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 50.33 111.17 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.569 HD13 ' CB ' ' A' ' 50' ' ' ALA . 10.9 mp -76.65 173.94 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 55.31 110.908 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.26 109.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 60.14 111.155 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.565 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -116.63 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 70.32 111.072 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.01 110.87 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 61.23 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.52 HG22 ' OD1' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -99.45 -42.69 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 70.43 111.174 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.85 -46.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.41 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG22 ' HB3' ' A' ' 73' ' ' PHE . 27.8 t -55.8 -66.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.117 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -51.76 -53.52 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.52 ' OD1' HG22 ' A' ' 16' ' ' THR . 4.4 m120 -53.36 -34.72 58.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.876 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -46.46 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.52 111.1 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.589 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 48.6 mm -63.51 -52.99 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 54.42 111.182 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -51.42 -34.75 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.937 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -64.16 -36.08 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.3 mmt -82.58 -46.35 13.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.53 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.18 -37.27 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 62.44 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -61.3 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 54.24 110.865 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.37 -38.49 68.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 64.43 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -80.38 -28.57 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.874 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.16 45.2 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 64.13 110.838 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mt -96.35 149.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 63.12 111.108 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -75.94 66.86 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 73.23 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' ' 90' ' ' LEU . 9.8 p -113.25 140.93 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 72.15 111.153 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.35 98.06 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.859 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.5 124.29 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 54.22 111.145 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -122.62 154.72 37.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.91 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -142.57 123.77 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 62.11 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.13 177.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.51 111.147 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -84.51 157.97 21.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.867 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.569 ' O ' HG12 ' A' ' 43' ' ' VAL . 39.9 mm -51.15 -30.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.129 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -84.86 -31.92 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.33 111.173 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.93 -30.52 66.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 62.44 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.645 HG21 HD22 ' A' ' 53' ' ' LEU . 8.6 p -72.21 -16.03 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.173 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.01 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 53.41 112.521 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -17.31 37.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 70.33 112.312 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 18.2 m-85 -93.25 37.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.884 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -91.86 -37.44 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.862 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.0 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 63.3 110.815 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -51.62 -60.27 3.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.12 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.569 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -58.11 127.62 33.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 63.31 111.12 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -64.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.51 ' CD1' HG23 ' A' ' 86' ' ' ILE . 6.3 mt -109.97 168.07 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 65.21 110.974 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 43' ' ' VAL . 39.2 tp -152.06 146.3 25.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.899 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 68' ' ' ILE . 17.3 t -132.45 127.28 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 164.71 27.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.24 111.174 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.638 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 8.8 p -134.4 34.65 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.126 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.0 111.104 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CD1' HG21 ' A' ' 67' ' ' VAL . 46.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.944 0.402 . . . . 73.34 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -118.33 33.65 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.52 110.939 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.07 160.32 16.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 75.24 110.923 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HG2' HD21 ' A' ' 52' ' ' LEU . 53.9 Cg_endo -69.74 80.51 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.719 2.279 . . . . 72.13 112.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 63' ' ' TYR . 68.8 t -64.85 145.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 55.13 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.646 HG21 HG23 ' A' ' 82' ' ' THR . 4.8 mp -116.57 139.35 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.127 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -80.6 126.39 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.638 ' HB3' ' CG2' ' A' ' 56' ' ' THR . . . -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.31 111.114 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -66.0 -35.78 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.909 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -59.0 -39.32 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HZ ' HD11 ' A' ' 22' ' ' ILE . 80.6 m-85 -55.58 -35.76 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 70.53 110.894 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 71.25 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.2 mt -56.4 -34.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 61.23 111.104 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.3 -36.5 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 54.25 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.19 -38.86 56.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 73.11 110.904 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.646 HG23 HG21 ' A' ' 68' ' ' ILE . 90.8 m -67.75 -57.87 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 52.5 111.137 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.587 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.6 tptt -51.69 -35.48 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 45.11 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.97 -34.3 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.951 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -80.54 -45.61 17.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.706 ' CG2' HD23 ' A' ' 90' ' ' LEU . 3.7 mt -59.91 -54.24 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.55 111.091 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.78 -29.98 21.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.952 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 m -49.53 -30.5 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.151 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' CD ' HD11 ' A' ' 52' ' ' LEU . 10.2 pt-20 -119.88 -29.63 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 71.31 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.706 HD23 ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -48.88 -45.69 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.906 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -116.59 -41.85 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.855 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 54.21 110.857 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.341 . . . . 74.41 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 4' ' ' VAL . 28.3 mmmt -120.05 67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -54.87 108.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 2' ' ' LYS . 95.3 t -110.97 134.29 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.3 111.137 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 46' ' ' TYR . 47.3 mt -97.19 169.22 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.922 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -150.54 85.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.04 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.536 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -106.85 114.39 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.085 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.892 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 70.21 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.62 -46.64 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.175 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.6 t -51.75 -45.17 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.177 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 73' ' ' PHE . 36.9 t -56.16 -68.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.153 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.5 ' OD1' HG21 ' A' ' 35' ' ' ILE . 7.7 t30 -51.47 -44.28 62.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.1 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.02 -29.83 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 64.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.85 -52.57 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.52 111.086 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.484 HG23 ' CE ' ' A' ' 25' ' ' MET . 43.2 mm -57.5 -33.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.125 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -73.2 -24.75 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.884 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.47 -38.74 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 72.51 110.85 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.39 -37.05 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.823 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.38 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.42 111.071 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.48 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 70.04 110.928 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -72.56 -35.82 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 63.52 110.878 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.18 -27.87 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.788 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.93 45.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.888 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 32' ' ' LYS . 20.3 mt -99.64 157.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.53 111.137 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 31' ' ' ILE . 3.9 pttt -76.71 60.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.907 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.62 133.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.124 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.1 94.48 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.846 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.5 HG21 ' OD1' ' A' ' 19' ' ' ASN . 61.7 mt -60.56 138.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 72.51 111.085 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -148.96 143.21 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.14 110.905 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -126.09 126.19 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 72.2 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.877 HD11 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -142.72 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 53.02 111.114 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -74.71 156.61 36.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.902 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.536 HD13 ' HB1' ' A' ' 7' ' ' ALA . 34.8 mm -49.23 -34.3 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.4 111.164 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -69.6 -38.1 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.175 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.11 -29.12 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.877 HG22 HD11 ' A' ' 38' ' ' ILE . 88.7 t -64.6 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.103 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 51.55 112.497 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.41 30.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 65.31 112.375 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.803 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.5 m-85 -93.05 34.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 52.23 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.46 -38.05 13.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 52.03 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.33 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 74.35 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -52.05 -51.13 59.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 61.14 111.136 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.46 134.41 53.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.2 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.98 -62.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.56 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -107.79 147.65 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.922 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' H ' HD13 ' A' ' 52' ' ' LEU . 27.0 tp -140.19 132.82 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.925 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.613 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.7 t -119.76 114.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 62.21 111.101 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 t -128.46 144.93 51.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 53.13 111.141 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 70' ' ' ALA . 38.6 p -78.11 -35.75 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.151 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 61.31 111.092 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CD1' HG21 ' A' ' 67' ' ' VAL . 60.8 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.954 0.407 . . . . 62.42 110.913 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -98.57 38.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.892 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.28 158.14 6.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 62.12 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 73.25 112.37 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.506 HG21 ' CD1' ' A' ' 63' ' ' TYR . 53.2 t -57.08 145.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.117 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.21 115.65 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.121 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -52.05 138.03 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.896 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.673 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -94.78 35.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 41.31 111.09 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -71.95 -36.99 70.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 62.53 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.44 -33.47 71.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.905 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.752 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 52.1 m-85 -90.61 45.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 74' ' ' LEU . 10.3 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.476 -0.25 . . . . 43.33 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.752 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 85.7 mt -105.33 -41.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 52.41 111.185 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -51.6 -33.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.99 -63.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.532 HG22 ' CD1' ' A' ' 86' ' ' ILE . 27.9 m -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 70.53 111.144 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.948 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.07 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -68.09 -49.07 63.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.532 ' CD1' HG22 ' A' ' 82' ' ' THR . 3.8 mt -68.67 -48.5 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 53.43 111.091 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.88 -32.07 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.5 m -49.52 -31.54 10.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.147 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.36 -31.61 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.835 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.21 -44.44 53.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 55.52 110.935 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -122.27 -35.0 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.35 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.21 110.91 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.855 0.359 . . . . 71.21 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -104.16 87.47 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.904 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.45 127.76 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 64.44 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' ' 52' ' ' LEU . 61.8 t -137.02 139.17 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 50.21 111.154 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 46' ' ' TYR . 41.9 mt -95.62 174.28 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.953 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.9 109.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.02 111.16 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.88 -179.86 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 61.54 111.065 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.892 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.927 0.394 . . . . 55.43 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.4 -42.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.43 111.156 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.4 -42.37 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.138 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 73' ' ' PHE . 20.7 t -60.07 -59.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.665 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.5 t30 -57.48 -44.01 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.61 -31.91 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.51 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -55.66 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.081 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.64 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 49.3 mm -55.79 -49.16 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 42.03 111.127 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -51.08 -33.03 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.07 -39.55 55.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 65.44 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmt -68.59 -47.91 65.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.16 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.072 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -64.08 -37.52 87.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 44.54 110.941 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.68 -35.55 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 62.35 110.871 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.63 -30.06 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 63.1 110.854 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 65.14 43.31 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -96.91 150.44 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.109 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -76.06 67.36 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 64.42 110.861 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.47 143.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 64.52 111.139 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -120.52 126.34 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.896 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.665 HG21 ' OD1' ' A' ' 19' ' ' ASN . 61.6 mt -91.35 145.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.127 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB3' HD23 ' A' ' 5' ' ' LEU . 3.1 mttp -140.61 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.926 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -113.17 128.61 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.2 173.09 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.163 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -83.06 162.01 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 42.22 110.877 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 tp -54.02 -37.91 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -95.16 29.6 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 75.33 111.164 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -120.28 -21.56 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 HD22 ' A' ' 53' ' ' LEU . 6.4 p -68.02 -24.03 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 71.42 111.148 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -67.35 1.37 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 71.14 112.471 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -21.46 33.86 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 65.51 112.351 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.74 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.0 m-85 -92.1 38.07 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 51.13 110.923 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -95.41 -35.45 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.863 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -75.43 -65.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.44 -43.29 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 65.43 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -76.25 147.27 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.45 111.118 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.03 -58.75 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.906 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.676 HD11 ' OE2' ' A' ' 89' ' ' GLU . 4.6 mm? -106.23 156.07 18.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 62.14 110.879 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 43' ' ' VAL . 21.7 tp -143.11 135.58 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.923 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 70' ' ' ALA . 25.1 t -120.09 127.28 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.22 111.118 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -156.39 141.37 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 55.41 111.161 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.51 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 20.3 p -93.94 40.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 51.22 111.139 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 51.11 111.056 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CD1' HG21 ' A' ' 67' ' ' VAL . 42.7 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.972 0.415 . . . . 75.34 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -104.68 35.79 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 64.54 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.15 157.82 11.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 72.32 110.863 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 65.35 112.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 63' ' ' TYR . 44.6 t -51.85 147.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 75.32 111.162 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.474 HG21 HD11 ' A' ' 86' ' ' ILE . 48.3 mm -125.85 143.68 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.24 111.138 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -92.89 134.19 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.933 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 73' ' ' PHE . . . -102.08 35.24 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.24 111.089 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -56.52 -35.67 68.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.869 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -74.31 -33.88 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.723 ' HB3' HG22 ' A' ' 18' ' ' VAL . 46.5 m-85 -63.23 -28.0 69.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.45 110.918 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 74.55 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.445 -0.262 . . . . 74.32 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.487 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 7.0 mt -125.89 27.43 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 71.35 111.173 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -123.19 -35.77 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HA ' ' NE2' ' A' ' 84' ' ' GLN . 5.3 mp0 -76.09 -34.01 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -88.83 -43.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.113 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.579 ' HD3' HD12 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -51.16 -48.81 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.22 110.859 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 81' ' ' GLU . 8.1 pt20 -51.8 -45.58 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 60.02 110.93 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -52.61 -47.64 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -72.11 -52.8 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 55.13 111.13 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 91' ' ' GLN . 32.4 tp -51.37 -27.27 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.01 110.895 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.6 m -48.51 -34.61 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.152 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.676 ' OE2' HD11 ' A' ' 52' ' ' LEU . 7.0 pt-20 -100.37 -34.37 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HB2' HD12 ' A' ' 87' ' ' LEU . 69.8 mt -51.88 -47.71 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.866 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.502 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.9 pp0? -121.6 33.29 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.919 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 70.34 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -134.17 117.3 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -98.07 116.53 30.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.9 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 52' ' ' LEU . 48.6 t -131.31 121.3 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.31 111.079 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.579 ' HB2' HD13 ' A' ' 53' ' ' LEU . 4.5 mp -91.25 -176.78 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 34.31 110.918 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.8 t -150.16 109.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.115 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.95 115.06 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 44.4 111.089 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 54.35 110.889 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.908 0.385 . . . . 71.54 110.831 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 -55.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.31 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -54.6 -58.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 72.25 111.106 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.791 HG13 ' CE2' ' A' ' 73' ' ' PHE . 64.5 t -51.71 -60.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.51 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -51.03 -57.18 9.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 60.3 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.35 -34.25 33.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.16 63.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 23.24 111.092 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.625 HG23 ' HE3' ' A' ' 83' ' ' LYS . 47.9 mm -67.74 -52.67 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.3 111.15 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -51.31 -34.95 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.924 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -72.26 -43.44 64.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.5 mtt -65.94 -50.45 64.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.34 39.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 55.22 111.134 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -63.85 -43.68 95.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -59.24 -35.95 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -82.88 -29.69 29.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 65.21 45.45 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 71.2 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 mt -96.98 150.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.111 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.42 66.41 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 51.43 110.915 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.76 135.36 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.166 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -99.38 -178.29 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 43.21 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -144.75 111.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 55.25 111.151 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -99.98 152.2 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.885 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -134.86 107.65 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 43.52 110.894 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -142.35 174.35 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 65.13 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 163.44 13.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 73.54 110.929 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.719 ' O ' HG12 ' A' ' 43' ' ' VAL . 7.7 tp -52.94 -29.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.52 111.127 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.9 -27.42 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.174 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.04 26.83 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 52.03 110.882 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.4 p -120.88 22.51 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.132 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.6 -67.2 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 65.42 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.64 35.84 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.266 . . . . 64.31 112.33 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HB3' HD21 ' A' ' 5' ' ' LEU . 35.3 m-85 -92.9 37.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.915 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.44 -47.47 3.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 75.14 110.844 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.13 -41.0 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 65.05 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -54.34 -57.42 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.116 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HB2' HD11 ' A' ' 5' ' ' LEU . . . -56.8 179.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 74.25 111.08 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.736 ' O ' HD22 ' A' ' 52' ' ' LEU . 11.4 m-20 -116.52 -41.39 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.882 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.736 HD22 ' O ' ' A' ' 51' ' ' ASP . 3.4 mm? -135.47 169.06 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 43.42 110.902 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 5' ' ' LEU . 29.4 tp -157.01 115.9 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 63.22 110.897 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.91 121.22 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.179 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -146.27 156.82 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.124 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.412 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 1.7 t -116.61 -33.05 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.121 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 65.34 111.115 179.857 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.413 ' CD1' HG21 ' A' ' 67' ' ' VAL . 40.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.935 0.398 . . . . 72.34 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -98.86 36.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 75.24 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HE2' HG22 ' A' ' 67' ' ' VAL . 1.2 p90 -164.41 157.92 15.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 74.44 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HG2' HD11 ' A' ' 52' ' ' LEU . 54.1 Cg_endo -69.78 79.92 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 73.41 112.357 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 63' ' ' TYR . 48.0 t -51.6 146.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 62.21 111.118 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.507 HG21 HD11 ' A' ' 86' ' ' ILE . 26.5 mm -119.27 105.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 70.41 111.159 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -55.69 126.13 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 64.24 110.931 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' A' ' 56' ' ' THR . . . -99.32 37.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -62.28 -38.29 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.15 -37.99 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.791 ' CE2' HG13 ' A' ' 18' ' ' VAL . 72.0 m-85 -60.4 -35.97 77.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.901 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.904 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.518 -0.233 . . . . 74.42 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.96 -35.06 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 63.34 111.131 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.83 -35.74 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -79.41 -41.99 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.919 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.5 m -61.42 -51.53 68.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.122 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.625 ' HE3' HG23 ' A' ' 22' ' ' ILE . 8.6 tptm -51.81 -34.91 42.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.888 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -34.26 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.928 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.98 -49.84 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 82' ' ' THR . 3.0 mp -65.32 -45.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.13 111.122 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' A' ' 91' ' ' GLN . 11.8 tp -56.99 -21.28 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 72.5 110.918 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.2 m -61.98 -16.05 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.15 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.05 -33.99 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.3 110.906 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.628 ' HG ' HG22 ' A' ' 86' ' ' ILE . 59.7 mt -49.96 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.503 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.8 pp0? -93.28 33.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.92 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.882 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 72.22 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -109.39 87.31 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.72 104.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 52' ' ' LEU . 57.3 t -115.04 112.47 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 71.53 111.183 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 50' ' ' ALA . 11.1 mp -82.36 173.74 11.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.883 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.7 t -149.33 115.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 75.34 111.165 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 40' ' ' ILE . . . -136.05 78.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.098 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.871 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.989 0.424 . . . . 71.44 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.594 HG22 ' OD1' ' A' ' 20' ' ' ASN . 5.8 m -122.21 -64.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 74.32 111.085 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -50.38 -41.77 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.778 HG22 ' HB3' ' A' ' 73' ' ' PHE . 21.8 t -58.85 -55.37 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 70.23 111.154 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -58.61 -55.36 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.594 ' OD1' HG22 ' A' ' 16' ' ' THR . 5.7 m120 -52.17 -29.27 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 73.44 110.845 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -81.37 -61.11 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 60.22 111.099 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.611 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 47.6 mm -52.48 -49.07 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.156 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -50.8 -33.16 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.67 -37.24 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 73.12 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -70.75 -54.17 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 65.11 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.5 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.43 111.062 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.49 -44.72 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.893 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.24 -35.67 67.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 60.11 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.56 -28.0 25.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 65.63 49.73 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 63.55 110.827 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 32' ' ' LYS . 17.0 mt -103.82 158.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.52 111.105 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.78 75.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 45.45 110.882 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.52 129.18 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.139 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -114.23 76.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.855 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 22' ' ' ILE . 83.9 mt -51.81 142.59 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.139 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.18 146.2 29.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 75.12 110.921 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.33 127.9 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 60.45 110.912 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -145.0 -176.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.145 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -79.22 153.57 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.24 110.911 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.6 tp -50.01 -30.56 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.129 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.2 p -86.63 -32.57 20.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.03 111.095 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -56.79 -27.09 59.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 73.52 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.5 p -64.46 -27.47 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 44.14 111.145 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.57 -68.15 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 53.53 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -22.86 31.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 74.12 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 16.9 m-85 -92.95 35.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.879 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.18 -40.69 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 53.42 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.98 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.845 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -51.82 -46.65 64.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 64.41 111.161 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -74.13 148.81 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.118 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -103.75 -58.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 70.35 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.646 ' HB2' HG22 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -103.16 157.93 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.916 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 43' ' ' VAL . 25.8 tp -152.77 134.35 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 43.51 110.888 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.9 t -121.28 119.77 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 31.41 111.13 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -147.42 131.0 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.2 111.151 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 ' C ' ' A' ' 70' ' ' ALA . 20.3 p -70.82 -42.63 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 64.52 111.16 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 53.22 111.084 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CD1' HG21 ' A' ' 67' ' ' VAL . 18.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.967 0.413 . . . . 75.11 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -103.62 35.89 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -172.49 158.26 3.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 62.13 110.859 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.276 . . . . 73.3 112.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.597 HG21 ' CD1' ' A' ' 63' ' ' TYR . 48.2 t -67.0 146.69 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.125 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.69 HD13 ' CG1' ' A' ' 86' ' ' ILE . 5.0 mt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -76.79 140.54 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 63.11 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -105.83 35.19 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -58.29 -35.78 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 54.22 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -67.26 -17.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 61.34 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.778 ' HB3' HG22 ' A' ' 18' ' ' VAL . 80.6 m-85 -91.14 37.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.3 110.888 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 74.01 110.888 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.243 . . . . 75.44 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.722 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 98.8 mt -68.89 -35.47 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 72.54 111.128 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.12 -35.54 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.33 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -51.67 -36.12 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.649 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.9 m -99.54 -35.15 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 62.12 111.163 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HE3' HG23 ' A' ' 22' ' ' ILE . 6.5 tptm -51.71 -35.92 44.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 63.43 110.919 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.87 -46.0 90.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -56.19 -51.54 67.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.789 HG22 HD13 ' A' ' 90' ' ' LEU . 2.8 mp -64.92 -50.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.33 111.154 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -52.35 -41.7 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.897 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.0 m -54.53 -25.92 28.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.137 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -99.5 -38.41 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 HG22 ' A' ' 86' ' ' ILE . 2.3 mp -51.03 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.932 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -36.93 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.916 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.92 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.836 0.35 . . . . 65.12 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 4' ' ' VAL . 28.1 mmmt -122.43 81.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 42.31 110.887 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -61.51 101.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 2' ' ' LYS . 23.1 t -109.32 141.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 62.34 111.106 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' A' ' 46' ' ' TYR . 47.2 mt -95.04 174.36 7.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.885 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -150.12 89.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 111.155 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.68 106.66 15.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 43.23 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.932 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 51.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -101.48 -41.07 6.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 35.22 111.176 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.1 t -52.38 -55.58 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.135 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.796 HG13 ' CE2' ' A' ' 73' ' ' PHE . 90.1 t -51.66 -62.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 54.4 111.168 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -50.29 -53.88 25.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.43 -26.36 53.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.44 -34.35 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.063 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.496 HD12 ' HZ2' ' A' ' 83' ' ' LYS . 46.4 mm -76.48 -40.23 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.142 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.905 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.17 -34.95 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.8 -53.61 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.911 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.63 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.35 111.105 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -43.61 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 54.14 110.885 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.25 -35.71 74.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.57 -29.83 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.84 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 65.22 46.23 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.879 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.62 151.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 65.34 111.111 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.02 67.19 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.929 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.71 136.86 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 44.22 111.124 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.43 121.89 46.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.9 mt -83.1 145.97 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.22 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.57 ' HB3' HD23 ' A' ' 5' ' ' LEU . 4.9 mttp -147.24 134.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.41 110.912 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -119.16 130.61 55.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.57 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.25 178.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.123 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 164.45 15.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.885 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 41' ' ' THR . 6.3 tp -55.55 -32.45 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.126 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 HG23 ' A' ' 40' ' ' ILE . 58.8 p -95.01 28.34 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.173 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.97 -28.36 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG23 HD12 ' A' ' 5' ' ' LEU . 8.0 p -67.02 -25.18 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 75.21 111.158 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.42 1.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 51.23 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.4 33.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 64.04 112.323 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.739 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.2 m-85 -92.05 37.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 72.13 110.935 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.15 -36.15 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.24 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.11 -52.65 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.848 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -62.83 -50.65 70.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.155 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -68.04 128.76 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 43.43 111.069 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.33 -64.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 64.41 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.3 mm? -103.03 170.71 7.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.923 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.549 ' CD2' HG21 ' A' ' 43' ' ' VAL . 38.5 tp -154.29 123.47 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 64.22 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.8 t -118.11 110.26 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.123 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -134.0 146.19 50.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 73.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.0 p -57.61 -47.84 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.32 111.165 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.087 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.518 ' CD1' HG21 ' A' ' 67' ' ' VAL . 6.4 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.967 0.413 . . . . 73.54 110.925 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -111.46 37.15 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.914 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 158.3 4.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 63.15 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.62 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 74.52 112.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 63' ' ' TYR . 76.3 t -69.36 144.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.43 111.124 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.13 112.94 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.14 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -51.92 132.49 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.915 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.05 35.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 53.42 111.088 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -74.55 -35.2 63.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -55.17 -34.53 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.904 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.796 ' CE2' HG13 ' A' ' 18' ' ' VAL . 67.2 m-85 -63.32 -20.24 65.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 51.41 110.919 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.445 -0.262 . . . . 73.51 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.8 mt -80.17 -34.05 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 50.51 111.139 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.9 -34.97 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 43.35 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -94.29 -51.6 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 61.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -51.33 -47.89 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 72.11 111.164 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HZ2' HD12 ' A' ' 22' ' ' ILE . 15.1 tptt -52.08 -34.03 41.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 54.21 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -59.29 -35.37 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -66.87 -48.75 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.73 -48.5 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 65.32 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.42 -32.53 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 63.15 110.896 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.516 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 96.5 m -49.61 -31.23 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 44.23 111.136 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -113.83 -31.38 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.844 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 tp -50.32 -44.52 54.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.914 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.96 -35.71 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 70.5 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.516 ' NZ ' HG23 ' A' ' 88' ' ' THR . 16.3 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.922 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 74.41 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HB3' HD22 ' A' ' 90' ' ' LEU . 27.3 mmmt -88.26 102.84 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.942 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -80.14 110.4 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 52' ' ' LEU . 88.1 t -122.25 132.26 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.13 111.131 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 38' ' ' ILE . 4.9 mp -114.4 176.88 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 52.23 110.912 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -148.46 104.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 54.5 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.39 99.64 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.125 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 62.03 110.848 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.916 0.388 . . . . 73.44 110.823 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.55 -58.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.148 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.36 -43.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 61.02 111.169 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 73' ' ' PHE . 41.5 t -58.68 -66.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.41 111.14 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.613 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.8 t30 -51.3 -45.12 62.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.855 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.37 -35.02 76.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -44.24 49.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 70.11 111.097 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.705 HD12 ' HD3' ' A' ' 83' ' ' LYS . 50.8 mm -66.91 -52.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.07 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.42 -33.8 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.97 -36.2 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.05 110.86 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.87 -51.91 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -38.91 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.066 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -61.26 -48.02 83.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.24 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.19 -36.13 51.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.874 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -84.38 -25.14 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 66.08 51.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 70.15 110.889 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mt -112.77 148.35 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 54.32 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -73.67 74.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.879 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.8 t -107.28 119.52 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.24 111.146 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -89.56 107.57 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.613 HG21 ' OD1' ' A' ' 19' ' ' ASN . 80.8 mt -89.35 124.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.151 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -125.12 163.21 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.928 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -146.07 106.45 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 62.24 110.931 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.696 HD12 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -141.96 175.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 72.55 111.101 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -97.45 163.69 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.865 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.73 ' O ' HG12 ' A' ' 43' ' ' VAL . 3.0 mp -53.5 -29.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.33 111.108 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -78.54 -28.7 46.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -101.38 28.62 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 70.33 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.0 p -118.28 21.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 63.21 111.152 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.2 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 73.32 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.66 35.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 62.51 112.334 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -93.42 36.75 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.909 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.04 -48.68 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 62.55 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.07 -35.86 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.6 p -62.41 -50.8 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 64.41 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HB2' ' CD1' ' A' ' 5' ' ' LEU . . . -51.46 169.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.63 -35.85 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.603 ' O ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -150.9 132.31 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 62.15 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 54' ' ' VAL . 28.9 tp -112.53 146.02 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 65.14 110.94 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' H ' HD12 ' A' ' 53' ' ' LEU . 95.3 t -126.49 105.89 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.13 111.126 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 t -128.94 154.65 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.146 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -102.26 -36.13 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 31.15 111.099 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.647 ' CD1' HG21 ' A' ' 67' ' ' VAL . 20.8 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.926 0.393 . . . . 72.15 110.918 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -95.83 35.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.94 158.28 21.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.21 110.881 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 80.84 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 63.45 112.331 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 63' ' ' TYR . 96.3 t -51.67 144.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 31.32 111.125 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.869 HG21 HD11 ' A' ' 86' ' ' ILE . 44.7 mm -120.31 111.94 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 63.42 111.139 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.83 128.81 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -106.31 35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.53 111.078 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.842 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -57.85 -41.11 81.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 60.5 m-85 -54.49 -35.11 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.92 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.912 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.48 -0.248 . . . . 75.54 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.2 mt -57.27 -35.03 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.45 111.112 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -53.3 -34.9 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.894 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.81 -50.9 18.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 61.13 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -61.97 -59.42 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.144 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.705 ' HD3' HD12 ' A' ' 22' ' ' ILE . 7.0 mmmt -51.84 -34.21 39.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.89 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.42 -35.37 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.34 -51.61 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.869 HD11 HG21 ' A' ' 68' ' ' ILE . 2.7 mp -56.11 -37.27 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.136 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.98 -32.72 71.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.9 m -61.69 -26.04 67.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.164 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.45 -35.34 8.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.858 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 2' ' ' LYS . 13.6 mt -50.66 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 60.42 110.959 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -37.02 34.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 72.22 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 4' ' ' VAL . 13.9 mmmt -98.9 77.5 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 70.51 110.886 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -51.87 110.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 64.21 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 52' ' ' LEU . 75.6 t -117.94 109.99 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 52.31 111.119 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.8 mm? -87.19 169.82 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.8 t -149.36 108.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.5 103.82 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 55.03 111.1 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.907 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.937 0.398 . . . . 33.32 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -78.15 -43.71 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.15 111.167 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.59 -49.6 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.093 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 ' CE2' ' A' ' 73' ' ' PHE . 99.9 t -51.04 -65.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 63.1 111.143 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.656 ' OD1' HG21 ' A' ' 35' ' ' ILE . 4.7 t30 -51.78 -47.01 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -51.21 -32.12 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 -46.62 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 41.02 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.31 -33.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 64.31 111.148 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.42 -22.34 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -80.85 -44.07 18.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.48 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.842 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.03 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.02 111.135 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -74.01 -36.26 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.1 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.99 -39.01 93.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 71.31 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -81.07 -26.2 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.848 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 65.96 48.84 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 71.01 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 91' ' ' GLN . 17.0 mt -103.62 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 62.01 111.118 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.67 75.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.888 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.33 124.85 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.35 111.105 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -110.21 75.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.656 HG21 ' OD1' ' A' ' 19' ' ' ASN . 72.5 mt -55.22 139.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 60.44 111.169 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.535 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -159.37 156.72 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 63.0 110.89 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -139.21 130.56 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.977 HD11 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -143.04 159.7 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 64.01 111.154 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -61.27 156.79 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 tp -50.23 -40.01 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 52.31 111.156 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -68.38 -33.28 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 61.22 111.125 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.89 -26.29 64.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.893 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 38' ' ' ILE . 95.9 t -66.31 -26.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 55.33 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -23.39 30.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.657 2.238 . . . . 55.51 112.392 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.57 35.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 62.41 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -97.91 -43.71 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 63.04 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.71 -49.58 51.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 53.25 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -62.22 -50.34 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 71.31 111.114 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.677 ' HB2' HD23 ' A' ' 5' ' ' LEU . . . -57.26 146.24 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 54.12 111.09 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -49.85 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 1.028 HD11 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -123.99 108.14 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 54.1 110.886 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 5' ' ' LEU . 48.3 tp -100.85 142.75 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 42.13 110.919 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -125.0 100.66 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.139 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -123.97 119.78 30.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.2 111.147 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 t -92.17 44.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 60.43 111.169 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 51.33 111.083 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.943 0.401 . . . . 74.04 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -96.34 35.71 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.918 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.21 158.32 10.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 70.25 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 65.24 112.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.3 t -50.62 134.83 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.028 HD12 HD11 ' A' ' 52' ' ' LEU . 88.6 mt -117.28 105.22 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 70.14 111.114 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.26 133.64 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -96.1 39.64 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 71.25 111.045 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -52.51 -38.29 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 71.43 110.836 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.406 ' CG ' ' HG1' ' A' ' 82' ' ' THR . 3.7 p-10 -61.1 -36.37 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.904 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 18' ' ' VAL . 53.8 m-85 -65.62 -35.73 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.946 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.483 -0.247 . . . . 65.11 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 55.8 mt -50.9 -43.07 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 64.14 111.095 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.58 -38.58 55.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.4 110.91 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.88 -60.46 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.14 110.878 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.667 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -59.04 -40.76 86.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 70.01 111.14 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.467 ' HD3' HG22 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -50.35 -35.37 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.897 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -55.39 -35.05 64.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 72.45 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -84.51 -51.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.742 HG13 HD13 ' A' ' 68' ' ' ILE . 2.8 mp -53.86 -53.24 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.158 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.84 -34.44 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 m -53.09 -29.96 33.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 71.11 111.179 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -131.98 31.4 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 54.44 110.893 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.26 -34.83 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.04 110.936 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.731 ' HB3' HD13 ' A' ' 31' ' ' ILE . 4.1 pp0? -119.71 -28.89 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.926 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.874 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 72.2 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HE3' HD23 ' A' ' 90' ' ' LEU . 1.1 mmmp? -132.04 91.88 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.93 121.81 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.903 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 52' ' ' LEU . 97.2 t -123.11 142.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.167 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.663 HD22 HD12 ' A' ' 38' ' ' ILE . 44.3 mt -98.87 169.63 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 53.22 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.43 101.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.149 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.52 99.26 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.103 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.595 ' HG ' ' N ' ' A' ' 15' ' ' SER . 23.2 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 73.12 110.906 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.595 ' N ' ' HG ' ' A' ' 8' ' ' CYS . 77.2 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.929 0.395 . . . . 62.43 110.849 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.78 -50.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 44.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.38 -53.7 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 14.45 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 73' ' ' PHE . 96.5 t -51.61 -65.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.109 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -50.19 -53.64 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.872 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -51.19 -32.82 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 63.04 110.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.54 -38.8 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.52 -34.13 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 62.32 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.95 -32.77 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.41 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.31 -35.88 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.889 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 ptm -87.29 -40.62 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 65.24 110.842 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.94 -45.55 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 71.43 111.106 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -58.57 -37.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.5 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.06 -41.03 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -74.2 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 60.11 110.877 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.6 42.37 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 63.25 110.867 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 mt -98.04 150.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.54 111.105 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.98 61.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.866 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -124.22 121.76 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 44.3 111.107 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.85 133.22 52.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.831 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -89.09 145.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.51 111.128 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -134.32 149.06 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.908 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -122.71 120.55 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 70.32 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.663 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.16 171.57 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.152 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -82.94 161.69 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.901 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.679 HG23 HG23 ' A' ' 41' ' ' THR . 7.0 tp -54.08 -36.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.31 111.121 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 40' ' ' ILE . 27.9 p -94.71 28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 64.51 111.147 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -120.16 -24.34 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.879 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.715 HG21 HD22 ' A' ' 53' ' ' LEU . 7.3 p -68.61 -23.91 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.11 111.137 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -66.37 1.73 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 51.03 112.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -20.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 55.01 112.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.634 ' HB3' HD11 ' A' ' 5' ' ' LEU . 14.0 m-85 -91.84 36.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 63.33 110.903 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -89.23 -36.29 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.78 -61.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -56.37 -51.51 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.34 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -80.99 119.57 23.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 65.13 111.111 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -84.31 -50.58 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -99.19 145.48 27.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 63.45 110.942 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.715 HD22 HG21 ' A' ' 43' ' ' VAL . 19.8 tp -136.64 146.17 45.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.944 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.3 t -142.59 120.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 111.155 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -148.27 159.96 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.114 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' ALA . 19.1 p -100.55 -39.56 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.124 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 61.14 111.079 179.887 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 75.43 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -108.35 42.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 70.24 110.891 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.1 p90 -168.13 158.0 8.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 71.45 110.933 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.757 2.304 . . . . 44.2 112.32 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.44 147.5 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 64.15 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.843 HD12 HD11 ' A' ' 52' ' ' LEU . 10.4 mt -131.51 119.96 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 72.43 111.164 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -63.35 137.49 58.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.66 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -95.08 34.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.12 111.089 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -61.42 -34.54 75.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.844 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.01 -30.84 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.34 110.852 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 35.7 m-85 -88.83 45.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.88 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.934 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 64.31 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.718 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.5 mt -60.82 -48.54 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.336 . . . . 62.21 111.136 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.49 -35.99 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 51.24 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -60.63 -68.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.899 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.549 ' O ' HD12 ' A' ' 86' ' ' ILE . 95.4 m -56.6 -35.75 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.156 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.68 -34.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.9 -34.65 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -71.58 -49.04 44.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 60.45 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.782 HG13 HD13 ' A' ' 68' ' ' ILE . 4.0 mp -63.74 -49.28 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.125 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.475 HD11 ' HG2' ' A' ' 91' ' ' GLN . 18.0 tp -52.0 -35.77 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.13 110.976 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.3 m -51.27 -31.26 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.2 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.59 -41.09 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.9 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 86' ' ' ILE . 60.9 mt -51.1 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.475 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.9 pp0? -96.77 31.42 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.952 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.904 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.357 . . . . 44.2 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HE2' HD12 ' A' ' 90' ' ' LEU . 11.9 mmmt -134.29 83.45 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.882 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -69.41 98.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.912 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 52' ' ' LEU . 43.0 t -108.51 115.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 61.31 111.103 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 46' ' ' TYR . 10.8 mp -75.74 173.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 51.1 110.921 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -150.28 99.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.136 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.764 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -101.92 156.41 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.097 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.876 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.972 0.415 . . . . 62.25 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.445 HG22 ' OD1' ' A' ' 20' ' ' ASN . 1.2 m -119.52 -41.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.132 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.05 -41.35 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.808 HG22 ' HB3' ' A' ' 73' ' ' PHE . 21.4 t -59.44 -60.77 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 64.53 111.145 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -58.59 -52.32 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.88 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.445 ' OD1' HG22 ' A' ' 16' ' ' THR . 3.7 m120 -51.81 -29.01 17.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.912 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 -60.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.073 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.711 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 47.7 mm -51.69 -33.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.172 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.32 -32.58 62.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.898 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.575 ' CE ' HG21 ' A' ' 79' ' ' ILE . 15.8 ptp -92.33 -41.08 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.063 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -58.29 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 70.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -69.08 -36.06 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -73.2 -26.48 61.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.846 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.18 43.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.886 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 mt -106.04 151.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 71.42 111.162 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 73.57 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.911 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.03 129.27 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.104 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.28 78.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 70.3 110.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mt -55.57 133.15 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.121 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 147.11 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.903 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -123.03 129.17 51.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 63.23 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.46 174.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.163 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -82.05 161.23 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.894 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.91 -37.66 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -95.96 29.45 2.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.142 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -119.78 -23.11 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 62.24 110.855 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 53' ' ' LEU . 6.8 p -68.5 -23.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 64.51 111.129 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.21 -67.07 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.32 112.509 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -21.29 33.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 61.42 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.525 ' HB3' HD21 ' A' ' 5' ' ' LEU . 15.8 m-85 -92.34 37.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.15 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -99.41 -36.18 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 75.54 110.908 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.97 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.833 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.6 p -56.0 -51.43 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.119 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -64.32 141.68 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.109 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -89.74 -59.96 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.742 ' CD1' HG23 ' A' ' 86' ' ' ILE . 3.8 mt -108.41 168.15 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 43' ' ' VAL . 27.6 tp -148.94 137.13 20.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 1.032 HG12 ' HB2' ' A' ' 70' ' ' ALA . 28.5 t -135.98 112.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 55.13 111.113 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.764 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 5.6 t -142.35 143.1 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 60.54 111.133 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -64.18 -35.46 80.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 55.41 111.151 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 55' ' ' THR . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.077 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' CD1' HG21 ' A' ' 67' ' ' VAL . 65.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.902 0.382 . . . . 61.21 110.957 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -100.32 36.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -165.73 158.16 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 73.14 110.841 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 79.95 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 71.43 112.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.54 ' O ' HD13 ' A' ' 68' ' ' ILE . 46.7 t -52.66 147.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 71.42 111.141 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 67' ' ' VAL . 31.9 mm -129.42 110.02 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.146 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.72 131.16 30.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 51.4 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 1.032 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.79 34.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.05 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -34.84 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 64.11 110.845 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.09 -30.92 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.04 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.808 ' HB3' HG22 ' A' ' 18' ' ' VAL . 78.3 m-85 -90.45 45.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 73.04 110.909 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 72.23 110.921 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 50.11 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.77 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 75.8 mt -87.64 -33.48 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 54.23 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -72.29 -34.54 68.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.853 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.03 -33.67 75.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 61.34 110.888 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.647 ' O ' HD12 ' A' ' 86' ' ' ILE . 54.5 m -93.46 -34.1 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.4 111.134 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -50.18 -45.57 53.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -50.36 -44.78 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.41 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -57.0 -46.21 82.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.951 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 52' ' ' LEU . 4.1 mp -69.36 -53.95 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 44.32 111.138 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -50.06 -32.81 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.922 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.9 m -49.99 -30.26 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.18 -32.13 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' HE2' ' A' ' 2' ' ' LYS . 4.1 tp -49.43 -63.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.93 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.1 -38.9 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.85 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.808 0.337 . . . . 54.21 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.576 ' HE2' HD12 ' A' ' 90' ' ' LEU . 3.0 mmmm -98.77 71.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.921 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.87 112.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.916 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 2' ' ' LYS . 91.2 t -108.61 109.59 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.51 111.151 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 36' ' ' LYS . 4.3 mm? -77.4 172.32 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 65.35 110.863 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.456 HG11 HE22 ' A' ' 37' ' ' GLN . 95.3 t -150.31 106.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 74.23 111.086 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.29 161.04 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.01 111.131 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 42.41 110.857 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.929 0.395 . . . . 71.2 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -121.04 -52.05 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.24 111.167 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.42 -40.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.756 HG13 ' CE2' ' A' ' 73' ' ' PHE . 46.0 t -62.21 -67.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.42 111.145 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -51.36 -42.47 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.904 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.72 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 35.21 111.091 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' ' 83' ' ' LYS . 48.0 mm -77.57 -38.34 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.25 111.129 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -64.73 -35.74 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 65.51 110.908 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -76.69 -34.97 58.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.0 -50.02 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.47 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -69.57 -43.61 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.07 -35.91 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -80.23 -28.67 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 71.53 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 65.48 45.18 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.865 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.4 mt -98.98 151.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.42 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -75.39 69.25 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.916 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 90' ' ' LEU . 7.3 p -138.4 127.45 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.858 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -121.61 150.06 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 75.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.734 ' HB3' HD13 ' A' ' 5' ' ' LEU . 1.3 ttmm -149.82 145.0 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.894 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.456 HE22 HG11 ' A' ' 6' ' ' VAL . 9.8 mm100 -116.11 120.73 39.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 60.03 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.621 HD12 HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -142.68 177.93 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.13 111.153 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -98.03 166.45 11.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.931 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.735 ' O ' HG12 ' A' ' 43' ' ' VAL . 2.2 mp -56.54 -28.48 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.412 HG22 ' HB3' ' A' ' 39' ' ' LYS . 5.1 t -81.71 -27.58 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 53.31 111.141 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.48 -23.84 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 53.12 110.897 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 40' ' ' ILE . 3.6 p -68.26 -20.97 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.143 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.63 -67.4 1.68 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.552 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.04 35.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 72.51 112.312 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.41 34.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.99 -59.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.42 -51.37 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 72.35 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -53.46 -54.38 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 64.52 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.68 165.83 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.119 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.05 -49.79 3.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.875 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.527 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -117.88 150.33 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.904 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' H ' HD13 ' A' ' 52' ' ' LEU . 22.2 tp -140.03 146.06 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.43 110.885 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 68' ' ' ILE . 92.9 t -137.78 121.53 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 63.04 111.147 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -149.93 147.86 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.169 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -98.09 36.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 74.45 111.11 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.13 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.683 ' CD1' HG21 ' A' ' 67' ' ' VAL . 29.1 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.959 0.409 . . . . 74.42 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -101.87 39.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.907 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.48 158.41 4.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 51.42 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.95 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 72.22 112.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 63' ' ' TYR . 97.9 t -57.68 139.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.692 ' O ' HG13 ' A' ' 54' ' ' VAL . 25.7 mm -115.51 107.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.154 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -63.33 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.474 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . . . -95.13 35.81 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.23 111.127 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -42.01 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.887 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.15 -35.16 59.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.11 110.929 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.756 ' CE2' HG13 ' A' ' 18' ' ' VAL . 13.0 m-85 -58.73 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.875 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.922 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.475 -0.25 . . . . 51.5 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.4 mt -69.55 -34.67 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 63.03 111.131 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -51.66 -35.62 43.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.57 -43.73 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.73 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.5 m -58.76 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.55 111.14 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.654 ' HE2' HG23 ' A' ' 22' ' ' ILE . 13.0 tptp -51.8 -35.17 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.914 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -60.23 -35.77 76.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 70.54 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -76.61 -52.11 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.904 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -58.82 -48.07 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.69 -34.66 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 60.11 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 m -49.79 -33.88 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.02 111.175 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -105.4 -34.76 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 63.04 110.909 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.576 HD12 ' HE2' ' A' ' 2' ' ' LYS . 8.1 tp -51.26 -62.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 74.42 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -97.36 -34.13 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.909 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.7 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.908 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.829 0.347 . . . . 73.22 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -97.61 155.69 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -134.27 119.22 18.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 52' ' ' LEU . 21.9 t -128.17 118.1 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 111.125 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.825 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.5 mm? -81.63 178.83 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -150.29 90.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 65.13 111.133 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.4 92.26 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.101 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 62.4 110.885 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.937 0.399 . . . . 55.51 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -123.78 -55.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 54.44 111.143 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -51.91 -52.39 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.121 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.781 HG22 ' HB3' ' A' ' 73' ' ' PHE . 38.5 t -51.65 -64.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.4 111.111 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -51.87 -56.27 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.945 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -50.88 -32.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.32 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -77.06 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 64.43 111.092 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 48.6 mm -57.82 -52.05 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.157 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.74 -34.18 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.866 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.26 -38.07 68.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.916 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 mmt -72.75 -50.7 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.914 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.41 -34.53 35.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.03 111.057 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -64.87 -42.54 94.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 64.21 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.07 -35.69 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -82.89 -30.34 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 65.06 45.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 32' ' ' LYS . 30.3 mt -96.01 155.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 44.44 111.154 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -77.09 59.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.92 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -105.49 127.31 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.1 111.149 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -103.02 99.78 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 62.32 110.849 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.35 139.13 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 70.52 111.149 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 5' ' ' LEU . 2.3 mmtm -143.44 145.82 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.35 110.909 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -141.69 122.36 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 61.14 110.926 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -141.48 178.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.087 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -95.55 158.26 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.883 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.715 ' O ' HG12 ' A' ' 43' ' ' VAL . 11.1 tp -51.71 -30.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.161 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.17 -30.05 31.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.153 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -95.8 28.52 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 63.4 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.5 p -120.95 22.15 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 73.02 111.122 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.81 -67.85 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -19.46 36.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 73.02 112.383 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -92.86 38.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.908 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -107.12 -36.11 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 73.04 110.929 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.35 -43.99 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -52.94 -54.75 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 51.33 111.11 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 159.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 55.33 111.084 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.686 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -106.78 -38.86 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.82 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 51' ' ' ASP . 3.8 mm? -130.61 169.13 16.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 64.45 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.825 HD13 ' HB2' ' A' ' 5' ' ' LEU . 21.9 tp -163.6 136.87 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.939 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 70' ' ' ALA . 29.5 t -117.98 119.57 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 54.22 111.139 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -139.67 148.61 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.41 111.155 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -76.88 -35.95 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.05 111.189 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.129 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' HG21 ' A' ' 67' ' ' VAL . 41.9 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.931 0.396 . . . . 62.13 110.952 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -96.18 36.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.899 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' HD23 ' A' ' 53' ' ' LEU . 1.2 p90 -162.03 157.81 20.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.691 0.757 . . . . 73.52 110.869 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 54.51 112.4 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG22 ' HE2' ' A' ' 65' ' ' PHE . 47.7 t -53.47 146.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 65.12 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.93 148.45 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 72.22 111.159 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -86.82 138.42 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.883 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.533 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -112.34 35.85 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 61.12 111.092 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -64.21 -36.09 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 70.03 110.818 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.38 -33.72 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.781 ' HB3' HG22 ' A' ' 18' ' ' VAL . 49.2 m-85 -68.36 -29.31 68.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.955 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.513 -0.235 . . . . 64.43 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.632 HD13 ' HB1' ' A' ' 21' ' ' ALA . 74.4 mt -85.9 -34.38 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 72.21 111.163 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -69.5 -43.5 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.25 110.891 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.48 -46.5 73.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 65.42 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 86' ' ' ILE . 5.4 m -78.87 -36.98 41.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.3 111.115 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' HD12 ' A' ' 22' ' ' ILE . 9.0 mmmt -51.86 -33.58 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.849 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.26 -34.95 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -71.02 -51.24 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.85 HG22 HD11 ' A' ' 90' ' ' LEU . 3.5 mp -64.68 -48.16 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.51 111.121 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 90' ' ' LEU . 14.7 tp -51.51 -34.01 34.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -52.03 -30.34 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 45.31 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.64 ' CD ' HD11 ' A' ' 52' ' ' LEU . 12.7 pt-20 -112.8 29.11 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 62.23 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.85 HD11 HG22 ' A' ' 86' ' ' ILE . 81.5 mt -126.14 -35.54 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 65.14 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -115.61 -25.17 7.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.53 110.894 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.922 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 43.4 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -122.42 79.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 61.33 110.849 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -57.77 123.14 14.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 2' ' ' LYS . 63.3 t -130.95 133.5 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 63.25 111.086 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.83 HD11 ' HB3' ' A' ' 46' ' ' TYR . 55.2 mt -89.53 175.45 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -150.17 87.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.16 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -103.54 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 22.33 111.096 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.894 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.935 0.397 . . . . 65.13 110.829 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -47.65 24.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.5 111.185 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.8 -47.0 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 64.5 111.148 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.96 -68.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.137 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.573 ' OD1' HG21 ' A' ' 35' ' ' ILE . 11.0 t30 -51.72 -40.09 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.862 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 62.03 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.73 -41.2 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.102 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.646 HD12 ' HE3' ' A' ' 83' ' ' LYS . 50.6 mm -68.12 -49.48 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.098 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -35.64 37.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 71.1 110.868 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.87 -39.6 66.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 61.03 110.927 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtt -68.38 -49.46 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 64.4 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.59 40.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -46.27 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.885 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.02 -37.58 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 63.4 110.84 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.64 -30.44 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.854 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 64.83 42.28 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.02 149.54 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 55.02 111.147 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.36 65.52 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.891 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 p -118.23 142.34 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.1 111.116 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.71 123.78 46.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.908 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.573 HG21 ' OD1' ' A' ' 19' ' ' ASN . 51.6 mt -86.11 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -144.63 139.31 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.906 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.02 123.57 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.512 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -140.69 168.56 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 72.14 111.149 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 160.2 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.879 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.699 HG23 HG23 ' A' ' 41' ' ' THR . 6.6 tp -52.25 -38.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.105 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 40' ' ' ILE . 31.5 p -94.87 28.97 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.142 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -119.63 -21.87 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.642 HG21 HD22 ' A' ' 53' ' ' LEU . 6.8 p -68.73 -24.09 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.095 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.14 -66.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 70.01 112.527 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -20.96 34.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 73.23 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.83 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.1 m-85 -92.06 37.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.955 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.59 -35.94 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 72.01 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.8 -65.05 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.74 -42.76 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 63.22 111.104 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -82.2 144.03 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 70.45 111.092 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.23 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 64.11 110.88 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.824 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -96.71 137.24 36.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.895 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 43' ' ' VAL . 19.1 tp -127.28 117.59 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.936 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -113.25 111.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 71.43 111.139 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 57' ' ' ALA . 6.7 t -151.75 143.69 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.175 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -64.03 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 55' ' ' THR . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 61.34 111.108 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 67' ' ' VAL . 9.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.988 0.423 . . . . 74.42 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 35.99 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 74.2 110.873 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.456 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -169.83 158.1 6.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.741 . . . . 73.35 110.876 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.686 2.257 . . . . 74.54 112.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 63' ' ' TYR . 47.7 t -61.19 146.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.119 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.826 HD13 HG12 ' A' ' 86' ' ' ILE . 4.0 mt -130.29 130.16 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.34 111.087 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -87.76 123.51 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -95.15 44.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.108 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -61.48 -40.04 93.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.862 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -52.78 -41.04 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.9 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 49.1 m-85 -55.0 -35.27 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.914 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.911 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 54.14 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.725 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.2 mt -51.35 -52.26 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 60.31 111.136 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.72 -36.0 45.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.48 -39.76 92.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.45 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.679 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -80.22 -43.67 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 31.24 111.14 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.78 -34.94 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.945 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.5 -35.54 74.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.977 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -77.68 -51.93 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 43.11 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.826 HG12 HD13 ' A' ' 68' ' ' ILE . 2.7 mp -58.22 -50.12 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.17 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.89 -34.58 41.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 75.55 110.923 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 m -50.31 -33.9 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 70.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.58 -39.61 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.89 -55.17 38.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -36.21 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 70.42 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.928 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 71.21 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.692 ' HE2' HD12 ' A' ' 90' ' ' LEU . 7.7 mmmt -78.79 86.46 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.04 110.932 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -62.16 125.77 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 71.15 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 52' ' ' LEU . 48.6 t -133.65 137.69 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 65.21 111.131 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 46' ' ' TYR . 44.6 mt -97.59 172.59 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.934 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -149.85 106.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 64.24 111.157 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.58 175.67 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.896 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.939 0.4 . . . . 73.52 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.646 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -89.73 -49.74 6.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 71.54 111.13 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.3 t -51.56 -47.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 65.23 111.095 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.6 t -54.01 -67.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' A' ' 35' ' ' ILE . 6.3 t30 -51.62 -55.15 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 70.34 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.646 ' ND2' HG22 ' A' ' 16' ' ' THR . 6.3 m-80 -51.57 -33.81 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.924 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -75.48 -55.53 5.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 51.12 111.11 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.631 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 51.2 mm -55.41 -53.17 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.36 -33.75 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -71.45 -35.89 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 73.32 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mtt -76.0 -49.03 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.55 110.872 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.79 60.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 63.13 111.13 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -60.47 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.912 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.08 -35.58 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.3 110.853 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -75.32 -27.44 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 63.14 110.825 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 65.84 43.91 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.26 152.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -73.65 74.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 61.11 110.879 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.76 137.19 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 62.53 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.89 83.54 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 43.35 110.894 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.4 HG21 ' OD1' ' A' ' 19' ' ' ASN . 81.8 mt -61.66 143.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 75.24 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -151.58 137.23 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 70.1 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -114.85 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 43.43 110.929 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.09 172.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 60.3 111.144 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -82.36 162.58 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.876 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.485 HG22 HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -57.28 -28.74 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 64.34 111.141 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.485 HG23 HG22 ' A' ' 40' ' ' ILE . 58.6 p -98.48 25.94 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.141 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -121.89 -24.48 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG21 ' CD2' ' A' ' 53' ' ' LEU . 14.9 p -68.4 -23.97 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 71.4 111.138 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.32 -66.78 1.58 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 63.42 112.437 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.44 33.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 52.44 112.321 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.815 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.4 m-85 -92.39 37.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 65.01 110.956 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -91.89 -36.27 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.21 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.07 -64.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.835 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -51.77 -55.69 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.11 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -65.14 130.91 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.132 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.38 -64.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.3 mm? -96.22 155.25 16.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 53.52 110.876 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 43' ' ' VAL . 25.1 tp -149.03 126.13 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.932 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 68' ' ' ILE . 37.8 t -122.55 120.92 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.53 111.156 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 t -153.01 149.57 28.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.171 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -66.56 -35.92 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 61.42 111.111 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 63.34 111.076 179.9 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.683 ' CD1' HG21 ' A' ' 67' ' ' VAL . 16.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.972 0.415 . . . . 72.44 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -94.69 38.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.864 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.98 158.03 9.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 70.44 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.41 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 70.11 112.379 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 63' ' ' TYR . 61.7 t -63.18 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 64.03 111.133 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 54' ' ' VAL . 25.9 mm -123.5 112.22 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.112 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -51.69 137.85 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.897 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.11 34.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.073 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -74.56 -35.05 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.884 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -27.75 68.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 65.04 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 25.3 m-85 -89.24 44.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.23 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 72.03 110.947 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.454 -0.258 . . . . 35.45 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.802 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 39.6 mt -125.6 -54.34 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 71.23 111.114 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -50.7 -35.68 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 61.42 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.64 -51.16 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.866 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.772 HG22 HD11 ' A' ' 86' ' ' ILE . 7.9 m -69.92 -44.56 69.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 63.05 111.148 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' HG3' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.36 -34.25 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.895 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.12 -35.43 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -75.29 -51.67 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 75.45 110.919 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.772 HD11 HG22 ' A' ' 82' ' ' THR . 3.4 mp -60.51 -38.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.159 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.07 -35.67 79.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.893 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.49 -34.53 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 73.33 111.201 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.489 ' OE1' HD11 ' A' ' 52' ' ' LEU . 11.8 pt-20 -100.45 -36.44 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.897 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.692 HD12 ' HE2' ' A' ' 2' ' ' LYS . 11.3 tp -53.24 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.923 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -105.64 32.49 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.949 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.852 0.358 . . . . 74.52 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.21 91.84 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.38 114.01 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.3 t -118.34 141.83 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 60.42 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' A' ' 46' ' ' TYR . 42.5 mt -99.54 169.54 9.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.883 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -148.0 90.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.121 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.64 157.67 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 75.1 111.128 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 54.42 110.863 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.916 0.389 . . . . 72.12 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -88.18 -51.68 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.21 111.12 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.67 -48.19 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 64.31 111.105 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.37 -66.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 60.24 111.112 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.625 ' OD1' HG21 ' A' ' 35' ' ' ILE . 17.6 t30 -52.09 -42.54 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.851 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.87 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -43.79 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.14 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.726 HD12 ' HE3' ' A' ' 83' ' ' LYS . 50.2 mm -66.52 -50.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 62.31 111.15 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -51.34 -35.92 40.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 53.4 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -70.5 -36.86 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.882 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mtt -73.19 -48.88 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.15 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.29 -43.08 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.113 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -58.88 -44.74 91.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 60.14 110.886 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.5 -35.72 78.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.21 -27.94 47.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 65.52 45.38 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mt -105.83 151.87 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.42 111.12 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 73.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.953 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG22 HD12 ' A' ' 90' ' ' LEU . 20.1 t -107.27 134.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 72.01 111.132 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.6 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 64.51 110.899 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.625 HG21 ' OD1' ' A' ' 19' ' ' ASN . 58.4 mt -67.97 135.71 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.43 111.15 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.5 151.6 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.912 179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.67 132.21 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 73.32 110.962 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.34 171.97 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.152 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.29 161.55 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 63.1 110.911 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.665 HG23 HG23 ' A' ' 41' ' ' THR . 7.3 tp -54.36 -37.09 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.53 111.155 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.665 HG23 HG23 ' A' ' 40' ' ' ILE . 41.5 p -95.03 28.15 2.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 72.34 111.123 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -119.12 -23.34 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 53' ' ' LEU . 7.0 p -68.7 -23.55 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 52.54 111.132 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -66.82 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 70.44 112.526 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.24 33.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 70.41 112.339 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.826 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.6 m-85 -92.23 37.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.941 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.01 -35.74 11.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 70.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.8 -64.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.75 -42.73 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.145 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -77.42 142.0 39.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.101 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -96.91 -60.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.85 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -102.7 149.72 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.896 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.543 ' H ' HD13 ' A' ' 52' ' ' LEU . 31.7 tp -140.7 138.53 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 75.15 110.905 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.9 t -133.25 125.15 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.21 111.121 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -149.64 162.95 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.45 111.124 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p -111.34 -36.24 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 61.13 111.149 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 51.01 111.087 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.952 0.406 . . . . 73.3 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -96.07 37.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.49 157.92 13.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 72.33 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 87.64 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.01 112.375 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.04 147.62 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 63.41 111.172 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -128.55 129.11 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 63.35 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -74.99 140.02 43.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -110.79 35.52 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 63.11 111.055 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -72.56 -37.96 68.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -52.24 -35.77 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.683 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 25.2 m-85 -62.06 -35.9 80.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.88 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.929 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.517 -0.233 . . . . 73.13 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.683 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 57.3 mt -51.15 -38.07 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 74.44 111.126 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.86 -36.0 71.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.79 -54.93 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.732 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.1 m -67.41 -46.97 71.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 44.35 111.154 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.726 ' HE3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.73 -34.74 40.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.863 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -61.79 -35.31 77.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -75.42 -52.07 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.44 110.942 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 82' ' ' THR . 2.8 mp -60.89 -47.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.171 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.21 -40.86 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.11 110.874 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.1 m -49.91 -31.01 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 63.1 111.149 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.14 -49.72 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD12 HG22 ' A' ' 33' ' ' VAL . 2.6 mm? -51.5 -45.91 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.957 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.7 -47.33 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.936 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.865 0.364 . . . . 74.13 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -118.22 80.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.39 99.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 61.23 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.637 HG13 ' C ' ' A' ' 52' ' ' LEU . 47.8 t -112.57 130.43 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.01 111.131 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.879 HD13 HG13 ' A' ' 43' ' ' VAL . 4.7 mt -94.71 174.72 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.2 t -149.79 102.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.171 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -133.75 102.64 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.083 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.843 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.997 0.427 . . . . 74.44 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -109.86 -50.59 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.42 111.157 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.76 -45.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 51.31 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.816 HG22 ' HB3' ' A' ' 73' ' ' PHE . 25.6 t -55.63 -64.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.54 111.115 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -53.24 -56.98 12.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.86 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -51.15 -34.03 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 35.15 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.18 -58.03 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 63.35 111.083 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.709 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 49.0 mm -54.96 -53.77 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.03 111.143 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -51.11 -33.21 25.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 54.52 110.903 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -74.38 -35.98 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.849 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 mmt -73.68 -49.01 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.934 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.0 -43.26 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 64.42 111.081 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -57.66 -44.08 85.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 62.25 110.888 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -60.35 -35.72 76.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.851 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -80.22 -26.87 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.892 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 65.91 47.79 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.941 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.28 152.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -73.79 74.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.854 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.6 t -109.16 137.07 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 61.4 111.119 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.3 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.05 138.7 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 63.15 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.782 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -136.68 157.52 46.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.861 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.64 108.41 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.884 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.997 HD11 HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -141.13 171.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.12 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 43' ' ' VAL . 32.5 mttp -69.52 150.84 46.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.909 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.614 HD13 ' HB1' ' A' ' 7' ' ' ALA . 39.9 mm -47.36 -54.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.155 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -61.45 -30.24 70.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 73.45 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -11.79 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.997 HG22 HD11 ' A' ' 38' ' ' ILE . 3.1 t -89.86 36.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.109 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.24 -66.79 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.31 112.528 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -18.95 36.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 74.1 112.385 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.757 ' HB3' HD11 ' A' ' 5' ' ' LEU . 35.3 m-85 -92.66 37.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.914 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -93.93 -51.09 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.929 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.49 -48.87 9.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -51.81 -57.56 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.172 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 158.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 41.31 111.109 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.8 -52.14 3.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.807 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.637 ' C ' HG13 ' A' ' 4' ' ' VAL . 26.6 mt -134.67 168.34 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.03 110.885 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 5' ' ' LEU . 25.7 tp -153.37 119.74 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.928 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.1 t -100.2 129.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.44 111.147 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -155.51 159.69 39.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 63.14 111.172 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 70' ' ' ALA . 26.0 p -101.73 -41.03 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.142 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.131 179.862 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.636 ' CD1' HG21 ' A' ' 67' ' ' VAL . 30.0 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.886 0.374 . . . . 70.42 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -108.5 38.77 2.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.955 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.79 159.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 74.35 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.41 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.739 2.292 . . . . 73.45 112.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.636 HG21 ' CD1' ' A' ' 63' ' ' TYR . 90.2 t -51.6 137.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 60.34 111.146 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD13 HG13 ' A' ' 86' ' ' ILE . 10.9 mt -111.51 116.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 61.53 111.098 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -57.41 129.2 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 32.12 110.866 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.851 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.06 35.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 54.54 111.086 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -71.05 -35.41 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -65.63 -20.67 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.04 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.816 ' HB3' HG22 ' A' ' 18' ' ' VAL . 81.0 m-85 -90.1 39.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 64.3 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 62.5 110.893 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.448 -0.261 . . . . 62.44 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.585 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 56.0 mt -51.37 -35.13 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 72.42 111.124 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -54.88 -35.65 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.913 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.42 -33.1 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 62.53 110.878 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.675 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.9 m -85.95 -31.6 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 51.43 111.165 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.473 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.36 -52.68 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.875 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -51.62 -42.18 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.871 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -69.07 -52.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.03 111.106 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 91' ' ' GLN . 13.2 tp -50.49 -32.64 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.941 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.6 m -49.82 -31.2 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 71.42 111.143 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.1 -32.62 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.899 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.537 HD13 ' CG2' ' A' ' 86' ' ' ILE . 1.9 tp -49.84 -57.74 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.43 110.93 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.7 pp0? -114.95 32.82 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 63.13 110.966 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 71.1 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 4' ' ' VAL . 12.6 mmmt -118.64 83.41 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.44 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -58.73 112.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 65.44 110.936 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 52' ' ' LEU . 95.3 t -118.87 140.18 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.127 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 46' ' ' TYR . 36.0 mt -97.02 176.26 6.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -150.0 106.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.04 111.149 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.78 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -118.32 79.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 73.15 110.878 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.935 0.398 . . . . 74.45 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -104.33 -35.59 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.05 111.146 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.64 -50.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.11 111.135 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 73' ' ' PHE . 24.1 t -56.27 -61.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 70.52 111.139 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -52.01 -60.11 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -51.72 -34.53 39.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 73.51 110.932 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.584 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -69.84 -56.81 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.081 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 48.8 mm -55.28 -54.86 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 72.11 111.133 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -52.28 -33.6 42.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 63.41 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.95 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 mmt -88.34 -43.63 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 72.01 110.904 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.52 -40.09 58.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.158 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 61.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -78.95 -35.87 42.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -75.09 -29.93 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 65.2 40.45 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 55.25 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.8 mt -96.18 150.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.149 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.78 67.3 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.943 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.73 126.22 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 65.55 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 105.79 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.852 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.472 HD11 HG22 ' A' ' 22' ' ' ILE . 36.6 mt -73.0 143.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.153 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -147.69 134.87 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 71.13 110.896 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.67 131.03 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.669 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.7 177.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.42 111.104 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -79.33 154.23 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.893 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 43' ' ' VAL . 8.3 tp -50.67 -29.83 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 70.44 111.123 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.8 p -86.47 -31.8 21.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -25.66 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.868 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.2 p -64.46 -27.36 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 62.3 111.132 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.59 -68.06 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 65.44 112.458 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -22.39 31.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 72.03 112.316 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.769 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.4 m-85 -92.71 35.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.959 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.64 -42.49 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 74.12 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -72.08 -59.37 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 73.42 111.127 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -65.99 141.31 58.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.07 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -97.27 -48.82 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 65.53 110.825 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.816 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -112.5 139.78 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 55.31 110.877 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.531 ' N ' HD13 ' A' ' 52' ' ' LEU . 26.4 tp -129.66 132.72 46.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.947 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.2 t -128.83 120.81 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.117 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.78 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 2.1 t -150.77 150.57 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.159 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.516 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 36.3 p -81.99 -38.64 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.152 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 62.14 111.134 179.876 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' HG21 ' A' ' 67' ' ' VAL . 16.8 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.927 0.394 . . . . 73.44 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -115.78 35.84 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 53.14 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.455 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.1 p90 -168.46 158.03 8.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 74.42 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.19 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 53.14 112.38 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 63' ' ' TYR . 44.4 t -61.26 147.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 55.51 111.128 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 52' ' ' LEU . 4.3 mt -130.93 138.51 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.141 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -77.41 141.79 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.931 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 56' ' ' THR . . . -100.93 35.18 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.11 111.115 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -59.62 -48.21 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.891 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -53.0 -28.98 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.827 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.759 ' HB3' HG22 ' A' ' 18' ' ' VAL . 87.5 m-85 -88.59 45.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.881 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.911 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.456 -0.258 . . . . 44.11 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.709 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 85.6 mt -56.93 -38.82 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 74.41 111.12 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.0 -34.61 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 51.45 110.918 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.12 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.22 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.631 ' O ' HD12 ' A' ' 86' ' ' ILE . 12.6 m -70.25 -43.28 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.21 111.138 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HD3' HD12 ' A' ' 22' ' ' ILE . 44.1 tptt -51.39 -35.3 38.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.89 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.05 -35.82 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -72.08 -49.48 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 72.51 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.724 HG13 HD13 ' A' ' 68' ' ' ILE . 4.4 mp -62.48 -40.89 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 73.22 111.112 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.52 -35.14 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 62.33 110.873 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.05 -30.21 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 64.32 111.121 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.12 -45.45 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 71.24 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.712 HD12 HG22 ' A' ' 86' ' ' ILE . 4.3 mt -51.14 -42.56 60.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 72.15 110.907 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.89 -46.96 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.919 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 70.41 110.917 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 74.24 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' ' 4' ' ' VAL . 7.0 mmmt -127.46 78.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.937 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.64 114.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 61.14 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' LYS . 98.7 t -119.98 125.67 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.158 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.732 HD11 ' HB3' ' A' ' 46' ' ' TYR . 46.8 mt -94.13 168.89 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 50.12 110.912 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.5 t -150.4 82.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.148 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.35 83.19 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 62.44 111.076 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 53.03 110.892 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.94 0.4 . . . . 71.04 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -38.01 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 70.01 111.127 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.54 -35.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.071 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' CE2' ' A' ' 73' ' ' PHE . 33.1 t -70.88 -63.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 53.25 111.13 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.483 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.0 t30 -51.61 -43.79 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 61.34 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.14 -29.33 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.38 -40.41 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 34.15 111.121 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.434 HD12 ' HD3' ' A' ' 83' ' ' LYS . 48.4 mm -68.51 -38.03 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.123 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -35.37 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.55 110.857 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.51 -45.28 87.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.448 ' HE2' ' HB3' ' A' ' 25' ' ' MET . 20.2 ptp -76.6 -42.13 43.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 61.24 111.066 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -60.95 -38.73 86.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.946 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.2 -36.53 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 60.13 110.887 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.59 -29.62 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.839 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 65.44 42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.85 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mt -96.04 149.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.3 111.156 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -76.84 62.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.897 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.99 129.86 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 43.43 111.137 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.57 86.89 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.862 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.483 HG21 ' OD1' ' A' ' 19' ' ' ASN . 41.0 mt -61.21 144.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 61.25 111.174 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.79 -177.95 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.844 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -164.2 130.12 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.57 -175.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.22 111.147 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -90.53 158.46 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.877 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 43' ' ' VAL . 10.7 tp -51.95 -28.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.53 111.104 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.5 p -85.29 -31.42 23.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.129 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -71.85 -28.45 63.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 62.41 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.9 p -71.3 -17.4 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.097 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.75 -66.94 1.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 71.21 112.534 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.02 36.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 60.1 112.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.732 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.6 m-85 -92.37 37.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.899 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -93.39 -36.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -80.96 -53.69 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.05 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 p -55.19 -61.21 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.154 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.48 47.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 72.31 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -96.18 -36.94 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.667 HD23 ' CD ' ' A' ' 89' ' ' GLU . 1.1 tm? -131.86 132.17 43.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 74.34 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 52' ' ' LEU . 32.0 tp -130.72 131.93 45.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 41.45 110.9 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.877 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.9 t -123.95 118.05 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 70.21 111.118 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -121.42 137.2 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.179 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -60.81 -42.5 97.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 74.2 111.17 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 74.25 111.093 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.946 0.403 . . . . 73.02 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -105.29 37.75 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 72.23 110.893 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.67 157.99 9.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 74.34 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 82.14 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.239 . . . . 44.24 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.477 ' O ' HD13 ' A' ' 68' ' ' ILE . 61.6 t -52.78 143.07 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 61.33 111.087 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 86' ' ' ILE . 26.7 mm -131.0 143.62 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -84.16 138.5 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.877 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -107.09 35.2 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 41.4 111.076 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.92 -35.87 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.874 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -58.6 -35.74 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 65.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.747 ' CE2' HG13 ' A' ' 18' ' ' VAL . 21.6 m-85 -63.07 -35.8 81.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 45.1 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.878 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.512 -0.235 . . . . 65.52 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.625 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 79.6 mt -51.33 -34.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 63.44 111.123 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.31 -35.5 79.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.52 -55.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 75.11 110.863 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -69.29 -51.7 34.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.126 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' HD3' HD12 ' A' ' 22' ' ' ILE . 9.3 tptm -53.06 -32.22 45.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 61.01 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -32.48 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 62.24 110.928 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -91.68 -51.43 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 55.22 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.629 HD11 HG21 ' A' ' 68' ' ' ILE . 3.4 mt -55.18 -34.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 63.3 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 90' ' ' LEU . 28.3 tp -71.27 -23.8 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.902 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.8 m -50.72 -33.21 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.54 111.139 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.667 ' CD ' HD23 ' A' ' 52' ' ' LEU . 5.4 pt-20 -91.78 -32.59 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.914 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.579 ' HB2' HD12 ' A' ' 87' ' ' LEU . 6.3 mp -50.96 -36.18 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 51.33 110.873 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 62.43 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HE3' HD12 ' A' ' 90' ' ' LEU . 1.1 mmmp? -84.33 69.99 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.891 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.34 115.26 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 2' ' ' LYS . 75.0 t -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 71.31 111.119 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.678 HD23 HD12 ' A' ' 38' ' ' ILE . 7.2 mp -115.99 171.63 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -147.06 108.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.119 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.42 75.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 70.23 111.086 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' SG ' HG22 ' A' ' 56' ' ' THR . 95.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 45.41 110.901 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.928 0.394 . . . . 72.42 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.535 HG22 ' OD1' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -108.37 -38.75 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 70.14 111.153 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.04 -39.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 73' ' ' PHE . 20.1 t -59.8 -63.99 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.093 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.46 -45.34 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.898 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.535 ' OD1' HG22 ' A' ' 16' ' ' THR . 2.8 m120 -52.4 -28.36 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.873 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.06 -58.17 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.45 111.094 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.548 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 49.5 mm -50.83 -31.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 72.32 111.12 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -38.1 88.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.84 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.1 -30.27 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.477 ' HE3' HD13 ' A' ' 79' ' ' ILE . 40.4 mtt -76.68 -57.66 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.832 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.99 -34.94 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 62.52 111.115 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -65.92 -42.72 89.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.9 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.94 -39.06 90.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.924 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.8 -27.26 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.77 42.63 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.1 149.64 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.143 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -76.11 67.98 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.863 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 2' ' ' LYS . 7.2 p -130.39 127.9 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.119 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -96.12 159.0 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.873 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.66 136.2 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 51.3 111.119 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.69 170.81 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 60.53 110.92 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -157.33 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.678 HD12 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -142.47 178.28 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.35 111.146 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' HB3' HG22 ' A' ' 41' ' ' THR . 4.5 tttp -99.09 163.87 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.922 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.699 ' O ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -52.82 -27.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 64.2 111.102 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 39' ' ' LYS . 10.9 t -82.57 -30.99 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.167 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -95.53 27.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.863 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.5 p -121.82 22.28 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 72.3 111.145 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.3 -68.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 62.22 112.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.77 35.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 62.2 112.346 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.91 38.33 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 64.12 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -93.5 -36.74 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 63.21 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.64 -36.89 4.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.86 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.9 p -51.57 -47.68 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.22 111.167 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 5' ' ' LEU . . . -59.31 120.42 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.42 111.093 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.94 -35.81 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.589 HD11 ' CG1' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -145.49 133.13 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.922 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' A' ' 5' ' ' LEU . 62.5 tp -126.36 133.06 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.94 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.661 HG12 ' HB2' ' A' ' 70' ' ' ALA . 39.4 t -120.43 122.57 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.101 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 t -140.91 161.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.53 111.147 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.405 HG22 ' SG ' ' A' ' 8' ' ' CYS . 1.3 t -120.65 -33.63 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 63.04 111.144 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.081 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.646 ' CD1' HG21 ' A' ' 67' ' ' VAL . 18.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.894 0.378 . . . . 75.42 110.926 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -95.36 36.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -162.65 157.92 19.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 72.43 110.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 72.44 112.346 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.646 HG21 ' CD1' ' A' ' 63' ' ' TYR . 79.7 t -51.75 144.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 42.3 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.715 HG21 HD11 ' A' ' 86' ' ' ILE . 45.3 mm -115.0 126.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 63.51 111.091 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -66.06 134.33 52.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.899 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 73' ' ' PHE . . . -116.12 35.64 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 71.24 111.09 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -54.18 -35.95 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.859 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -73.69 -34.89 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 42.15 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 48.0 m-85 -64.21 -30.51 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 64.12 110.884 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.24 110.896 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 65.24 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.691 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 74.2 mt -74.88 -47.8 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 52.22 111.128 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -52.02 -35.89 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 75.05 110.912 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.64 -37.74 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.908 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.719 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.4 m -87.98 -37.68 16.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 64.24 111.115 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -51.54 -32.24 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 50.5 110.923 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -57.63 -34.21 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 65.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -81.64 -51.81 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.862 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 82' ' ' THR . 3.4 mp -57.3 -52.16 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.127 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.18 -32.4 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 70.22 110.933 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -49.91 -30.93 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.45 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.54 -31.89 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 75.35 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD12 ' HE3' ' A' ' 2' ' ' LYS . 8.0 tp -50.55 -45.06 56.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 64.24 110.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.75 -35.14 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.947 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 64.14 110.893 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 72.41 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HE2' HD23 ' A' ' 90' ' ' LEU . 3.7 mmmm -117.89 115.36 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -97.0 104.69 16.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.703 HG22 ' HB2' ' A' ' 52' ' ' LEU . 21.8 t -108.52 120.7 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 61.43 111.093 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 46' ' ' TYR . 11.0 mp -87.03 172.65 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.899 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.25 109.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 74.23 111.08 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.72 109.22 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.45 111.1 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.4 p -119.39 145.4 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 73.42 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.2 82.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 75.0 112.488 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.92 -66.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 52.44 111.08 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.44 -51.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 72.03 112.475 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.67 143.05 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 73.52 111.156 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.16 -55.71 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.126 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -129.04 165.42 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 55.32 111.144 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 p -74.3 92.04 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -88.13 -58.01 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.01 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.48 -48.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 73' ' ' PHE . 24.9 t -55.28 -61.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.17 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.03 -58.43 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -51.32 -32.59 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.729 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -74.8 -61.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.53 111.085 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.649 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 49.4 mm -51.38 -53.72 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 60.14 111.115 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -51.13 -33.03 24.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.864 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -73.1 -37.0 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.928 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 mmt -74.34 -49.6 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 64.51 110.828 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.35 -37.92 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 74.51 111.079 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -49.71 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 71.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.09 -36.79 71.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -77.98 -26.4 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.851 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.42 46.61 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.32 110.914 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.39 149.23 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.22 111.117 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -75.52 70.51 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.931 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 p -124.07 143.77 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 73.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -129.03 121.44 27.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 63.13 110.855 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.6 mt -79.75 143.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 64.14 111.15 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -126.71 141.74 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.931 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -121.31 122.6 40.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.915 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.574 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.01 172.2 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 73.52 111.155 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -82.85 162.43 21.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.52 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.662 HG23 HG23 ' A' ' 41' ' ' THR . 6.2 tp -54.65 -37.21 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.147 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.662 HG23 HG23 ' A' ' 40' ' ' ILE . 33.7 p -94.55 28.33 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 64.3 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -119.77 -20.94 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 54.32 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 53' ' ' LEU . 6.6 p -66.91 -25.24 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 62.45 111.159 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.67 -67.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 74.22 112.51 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -22.25 32.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 65.34 112.354 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.476 ' HB3' HD21 ' A' ' 5' ' ' LEU . 15.5 m-85 -92.29 37.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.918 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -96.85 -35.49 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.42 110.853 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -76.59 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.31 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.71 -43.44 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.171 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -68.71 167.29 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 65.54 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.498 ' C ' HD22 ' A' ' 52' ' ' LEU . 8.5 t0 -120.37 -51.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.703 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.6 mm? -121.05 152.32 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 62.13 110.943 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 43' ' ' VAL . 27.7 tp -137.62 143.83 41.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.923 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 68' ' ' ILE . 43.8 t -136.98 127.01 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.35 111.115 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -144.17 152.13 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 52.25 111.17 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 70' ' ' ALA . 30.4 p -80.12 -41.2 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.142 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.94 -173.12 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.097 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.2 mmm 59.08 47.26 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 72.34 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.613 HG21 HG11 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -105.7 52.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.167 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -115.66 86.51 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 64.34 110.918 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -162.25 172.99 14.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 72.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.27 64.08 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 71.23 110.895 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -67.22 142.08 57.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.943 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -111.6 37.31 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.917 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.65 158.04 16.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 74.44 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 75.12 112.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.613 HG11 HG21 ' A' ' 59' ' ' THR . 92.0 t -64.04 144.06 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 64.03 111.13 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' ' 54' ' ' VAL . 39.3 mm -122.41 114.29 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 74.13 111.179 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -51.98 141.81 17.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 51.1 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.654 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -95.05 35.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 111.091 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -72.83 -34.53 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 71.5 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.91 -30.53 71.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.887 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.705 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 61.0 m-85 -89.45 45.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.865 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -82.77 -37.73 24.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.907 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -122.53 -42.72 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 71.42 111.101 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.28 39.28 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 63.12 112.494 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 pp -128.99 -35.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 73.13 111.147 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.33 36.35 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 71.22 112.439 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.729 HD13 ' HB1' ' A' ' 21' ' ' ALA . 49.3 mt -75.64 -47.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 61.11 111.161 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -51.55 -35.57 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -55.98 -68.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.852 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.605 HG22 ' CD1' ' A' ' 86' ' ' ILE . 3.8 m -61.94 -39.06 90.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 50.12 111.131 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -51.2 -38.46 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.906 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.92 -35.3 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 62.03 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -71.92 -52.12 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.952 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.605 ' CD1' HG22 ' A' ' 82' ' ' THR . 3.8 mt -64.35 -35.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 53.14 111.126 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.4 tp -68.47 -27.77 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.9 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.7 m -51.01 -34.13 27.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 74.34 111.129 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.653 ' OE1' HD21 ' A' ' 52' ' ' LEU . 11.2 pt-20 -95.24 -36.87 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 87' ' ' LEU . 60.2 mt -53.11 -52.51 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.32 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.53 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.8 pp0? -116.32 33.8 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 60.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 51.3 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.536 ' HG3' HD13 ' A' ' 90' ' ' LEU . 21.6 mmmt -100.47 166.68 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.899 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -142.54 108.55 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 70.14 110.935 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.485 HG21 HD21 ' A' ' 90' ' ' LEU . 88.1 t -114.2 102.68 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 50.33 111.17 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.569 HD13 ' CB ' ' A' ' 50' ' ' ALA . 10.9 mp -76.65 173.94 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 55.31 110.908 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.26 109.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 60.14 111.155 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.565 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -116.63 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 70.32 111.072 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 t -71.75 -35.64 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.01 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 113.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 43.34 112.475 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.36 130.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 52.23 111.107 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.08 -43.32 55.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 73.04 112.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.81 -34.53 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 74.43 111.1 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.21 54.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 61.12 111.111 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -98.64 40.39 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.52 51.81 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 61.23 110.841 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.52 HG22 ' OD1' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -99.45 -42.69 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 70.43 111.174 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.85 -46.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.41 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG22 ' HB3' ' A' ' 73' ' ' PHE . 27.8 t -55.8 -66.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.117 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -51.76 -53.52 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.52 ' OD1' HG22 ' A' ' 16' ' ' THR . 4.4 m120 -53.36 -34.72 58.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.876 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -46.46 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.52 111.1 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.589 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 48.6 mm -63.51 -52.99 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 54.42 111.182 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -51.42 -34.75 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.937 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -64.16 -36.08 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.3 mmt -82.58 -46.35 13.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.53 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.18 -37.27 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 62.44 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -61.3 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 54.24 110.865 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.37 -38.49 68.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 64.43 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -80.38 -28.57 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.874 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.16 45.2 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 64.13 110.838 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mt -96.35 149.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 63.12 111.108 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -75.94 66.86 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 73.23 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' ' 90' ' ' LEU . 9.8 p -113.25 140.93 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 72.15 111.153 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.35 98.06 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.859 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.5 124.29 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 54.22 111.145 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -122.62 154.72 37.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.91 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -142.57 123.77 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 62.11 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.13 177.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.51 111.147 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -84.51 157.97 21.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.867 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.569 ' O ' HG12 ' A' ' 43' ' ' VAL . 39.9 mm -51.15 -30.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.129 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -84.86 -31.92 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.33 111.173 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.93 -30.52 66.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 62.44 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.645 HG21 HD22 ' A' ' 53' ' ' LEU . 8.6 p -72.21 -16.03 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.173 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.01 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 53.41 112.521 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -17.31 37.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 70.33 112.312 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 18.2 m-85 -93.25 37.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.884 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -91.86 -37.44 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.862 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.0 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 63.3 110.815 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -51.62 -60.27 3.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.12 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.569 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -58.11 127.62 33.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 63.31 111.12 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -64.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.51 ' CD1' HG23 ' A' ' 86' ' ' ILE . 6.3 mt -109.97 168.07 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 65.21 110.974 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 43' ' ' VAL . 39.2 tp -152.06 146.3 25.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.899 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 68' ' ' ILE . 17.3 t -132.45 127.28 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 164.71 27.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.24 111.174 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.638 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 8.8 p -134.4 34.65 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.126 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.99 177.97 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 ptm -82.94 166.45 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 43.24 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 61' ' ' LYS . 15.1 t -175.98 178.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 51.44 111.139 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -54.79 -26.58 35.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 62.41 110.914 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.763 ' H ' HG23 ' A' ' 59' ' ' THR . 14.9 mttt 65.47 35.71 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 64.25 110.881 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -113.18 35.01 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 51.53 110.917 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.72 ' OH ' HG21 ' A' ' 59' ' ' THR . 46.1 m-85 -69.27 167.62 15.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 73.34 110.949 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -118.33 33.65 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.52 110.939 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.07 160.32 16.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 75.24 110.923 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HG2' HD21 ' A' ' 52' ' ' LEU . 53.9 Cg_endo -69.74 80.51 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.719 2.279 . . . . 72.13 112.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 63' ' ' TYR . 68.8 t -64.85 145.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 55.13 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.646 HG21 HG23 ' A' ' 82' ' ' THR . 4.8 mp -116.57 139.35 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.127 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -80.6 126.39 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.638 ' HB3' ' CG2' ' A' ' 56' ' ' THR . . . -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.31 111.114 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -66.0 -35.78 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.909 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -59.0 -39.32 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HZ ' HD11 ' A' ' 22' ' ' ILE . 80.6 m-85 -55.58 -35.76 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tp -82.08 -34.83 29.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 70.53 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 75' ' ' THR . 4.6 t -163.55 117.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.157 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.31 -36.58 1.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 72.43 112.493 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt 53.65 67.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 73.3 111.125 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.62 42.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.516 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.2 mt -56.4 -34.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 61.23 111.104 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.3 -36.5 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 54.25 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.19 -38.86 56.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 73.11 110.904 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.646 HG23 HG21 ' A' ' 68' ' ' ILE . 90.8 m -67.75 -57.87 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 52.5 111.137 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.587 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.6 tptt -51.69 -35.48 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 45.11 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.97 -34.3 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.951 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -80.54 -45.61 17.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.706 ' CG2' HD23 ' A' ' 90' ' ' LEU . 3.7 mt -59.91 -54.24 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.55 111.091 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.78 -29.98 21.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.952 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 m -49.53 -30.5 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.151 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' CD ' HD11 ' A' ' 52' ' ' LEU . 10.2 pt-20 -119.88 -29.63 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 71.31 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.706 HD23 ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -48.88 -45.69 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.906 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -116.59 -41.85 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.855 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 54.21 110.857 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.341 . . . . 74.41 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 4' ' ' VAL . 28.3 mmmt -120.05 67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -54.87 108.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 2' ' ' LYS . 95.3 t -110.97 134.29 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.3 111.137 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 46' ' ' TYR . 47.3 mt -97.19 169.22 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.922 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -150.54 85.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.04 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.536 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -106.85 114.39 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.085 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -104.51 140.95 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.97 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 64.41 112.463 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.59 125.67 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 62.21 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 -152.8 6.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 65.31 112.438 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.1 -40.91 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 52.11 111.12 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 119.81 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 65.3 111.083 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 p -69.94 164.23 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.4 p -82.27 70.28 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 70.21 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.62 -46.64 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.175 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.6 t -51.75 -45.17 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.177 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 73' ' ' PHE . 36.9 t -56.16 -68.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.153 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.5 ' OD1' HG21 ' A' ' 35' ' ' ILE . 7.7 t30 -51.47 -44.28 62.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.1 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.02 -29.83 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 64.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.85 -52.57 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.52 111.086 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.484 HG23 ' CE ' ' A' ' 25' ' ' MET . 43.2 mm -57.5 -33.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.125 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -73.2 -24.75 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.884 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.47 -38.74 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 72.51 110.85 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.39 -37.05 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.823 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.38 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.42 111.071 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.48 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 70.04 110.928 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -72.56 -35.82 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 63.52 110.878 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.18 -27.87 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.788 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.93 45.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.888 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 32' ' ' LYS . 20.3 mt -99.64 157.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.53 111.137 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 31' ' ' ILE . 3.9 pttt -76.71 60.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.907 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.62 133.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.124 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.1 94.48 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.846 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.5 HG21 ' OD1' ' A' ' 19' ' ' ASN . 61.7 mt -60.56 138.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 72.51 111.085 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -148.96 143.21 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.14 110.905 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -126.09 126.19 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 72.2 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.877 HD11 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -142.72 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 53.02 111.114 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -74.71 156.61 36.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.902 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.536 HD13 ' HB1' ' A' ' 7' ' ' ALA . 34.8 mm -49.23 -34.3 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.4 111.164 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -69.6 -38.1 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.175 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.11 -29.12 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.877 HG22 HD11 ' A' ' 38' ' ' ILE . 88.7 t -64.6 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.103 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 51.55 112.497 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.41 30.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 65.31 112.375 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.803 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.5 m-85 -93.05 34.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 52.23 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.46 -38.05 13.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 52.03 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.33 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 74.35 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -52.05 -51.13 59.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 61.14 111.136 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.46 134.41 53.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.2 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.98 -62.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.56 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -107.79 147.65 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.922 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' H ' HD13 ' A' ' 52' ' ' LEU . 27.0 tp -140.19 132.82 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.925 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.613 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.7 t -119.76 114.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 62.21 111.101 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 t -128.46 144.93 51.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 53.13 111.141 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 70' ' ' ALA . 38.6 p -78.11 -35.75 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.151 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.12 -176.78 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 61.31 111.092 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmm -127.8 168.04 15.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.849 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 63' ' ' TYR . 14.5 t -139.3 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.13 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -86.61 -35.79 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.924 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -51.78 159.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.04 110.912 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -102.19 107.67 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.904 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CD1' HG21 ' A' ' 67' ' ' VAL . 60.8 m-85 -70.0 150.6 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 62.42 110.913 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -98.57 38.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.892 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.28 158.14 6.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 62.12 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 73.25 112.37 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.506 HG21 ' CD1' ' A' ' 63' ' ' TYR . 53.2 t -57.08 145.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.117 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.21 115.65 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.121 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -52.05 138.03 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.896 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.673 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -94.78 35.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 41.31 111.09 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -71.95 -36.99 70.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 62.53 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.44 -33.47 71.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.905 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.752 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 52.1 m-85 -90.61 45.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 74' ' ' LEU . 10.3 tt -80.51 -35.85 34.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.871 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -121.61 -37.19 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 60.31 111.138 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.73 54.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 75.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.2 mt -140.21 -71.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 44.15 111.124 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.35 81.57 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 43.33 112.476 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.752 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 85.7 mt -105.33 -41.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 52.41 111.185 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -51.6 -33.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.99 -63.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.532 HG22 ' CD1' ' A' ' 86' ' ' ILE . 27.9 m -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 70.53 111.144 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.948 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.07 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -68.09 -49.07 63.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.532 ' CD1' HG22 ' A' ' 82' ' ' THR . 3.8 mt -68.67 -48.5 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 53.43 111.091 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.88 -32.07 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.5 m -49.52 -31.54 10.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.147 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.36 -31.61 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.835 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.21 -44.44 53.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 55.52 110.935 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -122.27 -35.0 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.35 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.21 110.91 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.855 0.359 . . . . 71.21 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -104.16 87.47 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.904 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.45 127.76 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 64.44 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' ' 52' ' ' LEU . 61.8 t -137.02 139.17 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 50.21 111.154 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 46' ' ' TYR . 41.9 mt -95.62 174.28 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.953 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.9 109.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.02 111.16 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.88 -179.86 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 61.54 111.065 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.0 t -175.35 116.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.49 84.31 1.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 61.3 112.499 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.77 148.38 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 35.33 111.064 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.17 -38.8 5.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 72.43 112.464 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -75.67 -61.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.365 . . . . 74.51 111.115 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 167.09 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 44.31 111.095 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.4 p -131.48 168.14 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.11 111.127 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.3 57.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 55.43 110.888 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.4 -42.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.43 111.156 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.4 -42.37 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.138 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 73' ' ' PHE . 20.7 t -60.07 -59.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.665 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.5 t30 -57.48 -44.01 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -58.61 -31.91 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.51 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -55.66 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.081 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.64 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 49.3 mm -55.79 -49.16 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 42.03 111.127 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -51.08 -33.03 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.07 -39.55 55.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 65.44 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmt -68.59 -47.91 65.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.16 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.072 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -64.08 -37.52 87.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 44.54 110.941 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.68 -35.55 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 62.35 110.871 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.63 -30.06 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 63.1 110.854 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 65.14 43.31 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -96.91 150.44 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.109 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -76.06 67.36 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 64.42 110.861 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.47 143.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 64.52 111.139 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -120.52 126.34 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.896 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.665 HG21 ' OD1' ' A' ' 19' ' ' ASN . 61.6 mt -91.35 145.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.127 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB3' HD23 ' A' ' 5' ' ' LEU . 3.1 mttp -140.61 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.926 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -113.17 128.61 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.2 173.09 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.163 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -83.06 162.01 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 42.22 110.877 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 tp -54.02 -37.91 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -95.16 29.6 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 75.33 111.164 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -120.28 -21.56 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 HD22 ' A' ' 53' ' ' LEU . 6.4 p -68.02 -24.03 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 71.42 111.148 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -67.35 1.37 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 71.14 112.471 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -21.46 33.86 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 65.51 112.351 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.74 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.0 m-85 -92.1 38.07 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 51.13 110.923 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -95.41 -35.45 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.863 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -75.43 -65.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.44 -43.29 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 65.43 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -76.25 147.27 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.45 111.118 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.03 -58.75 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.906 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.676 HD11 ' OE2' ' A' ' 89' ' ' GLU . 4.6 mm? -106.23 156.07 18.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 62.14 110.879 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 43' ' ' VAL . 21.7 tp -143.11 135.58 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.923 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 70' ' ' ALA . 25.1 t -120.09 127.28 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.22 111.118 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -156.39 141.37 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 55.41 111.161 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.51 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 20.3 p -93.94 40.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 51.22 111.139 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -171.22 129.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 51.11 111.056 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ttp -89.59 145.64 25.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.906 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -118.51 170.65 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.01 111.155 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -88.68 64.44 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 54.32 110.871 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -144.94 159.45 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.882 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -96.12 90.08 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 55.11 110.939 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CD1' HG21 ' A' ' 67' ' ' VAL . 42.7 m-85 -66.36 149.35 50.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.892 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -104.68 35.79 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 64.54 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.15 157.82 11.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 72.32 110.863 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 65.35 112.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 63' ' ' TYR . 44.6 t -51.85 147.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 75.32 111.162 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.474 HG21 HD11 ' A' ' 86' ' ' ILE . 48.3 mm -125.85 143.68 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.24 111.138 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -92.89 134.19 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.933 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 73' ' ' PHE . . . -102.08 35.24 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.24 111.089 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -56.52 -35.67 68.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.869 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -74.31 -33.88 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.723 ' HB3' HG22 ' A' ' 18' ' ' VAL . 46.5 m-85 -63.23 -28.0 69.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.45 110.918 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -35.14 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 74.55 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 t -99.48 -32.0 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 72.34 111.111 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.63 54.32 2.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 35.53 112.434 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.5 mt -147.1 -41.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 71.42 111.104 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.06 81.53 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 74.32 112.445 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.487 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 7.0 mt -125.89 27.43 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 71.35 111.173 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -123.19 -35.77 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.43 ' HA ' ' NE2' ' A' ' 84' ' ' GLN . 5.3 mp0 -76.09 -34.01 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -88.83 -43.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.113 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.579 ' HD3' HD12 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -51.16 -48.81 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.22 110.859 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 81' ' ' GLU . 8.1 pt20 -51.8 -45.58 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 60.02 110.93 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 mm100 -52.61 -47.64 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -72.11 -52.8 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 55.13 111.13 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 91' ' ' GLN . 32.4 tp -51.37 -27.27 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.01 110.895 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.6 m -48.51 -34.61 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.152 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.676 ' OE2' HD11 ' A' ' 52' ' ' LEU . 7.0 pt-20 -100.37 -34.37 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HB2' HD12 ' A' ' 87' ' ' LEU . 69.8 mt -51.88 -47.71 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.866 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.9 pp0? -121.6 33.29 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.919 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 70.34 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -134.17 117.3 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -98.07 116.53 30.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.9 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 52' ' ' LEU . 48.6 t -131.31 121.3 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.31 111.079 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.579 ' HB2' HD13 ' A' ' 53' ' ' LEU . 4.5 mp -91.25 -176.78 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 34.31 110.918 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.8 t -150.16 109.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.115 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.95 115.06 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 44.4 111.089 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.55 165.04 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 54.35 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.675 ' HA3' ' HB2' ' A' ' 57' ' ' ALA . . . -127.48 -33.83 0.6 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.735 . . . . 52.23 112.467 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.56 167.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 60.53 111.142 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 12' ' ' ILE . . . -77.28 61.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 43.53 112.45 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' ' 14' ' ' THR . 45.3 mm -124.33 142.76 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 73.31 111.138 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 60.24 111.147 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.595 ' H ' HG22 ' A' ' 12' ' ' ILE . 5.3 t -178.16 143.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.147 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.15 117.31 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.54 110.831 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 -55.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.31 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -54.6 -58.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 72.25 111.106 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.791 HG13 ' CE2' ' A' ' 73' ' ' PHE . 64.5 t -51.71 -60.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.51 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -51.03 -57.18 9.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 60.3 110.866 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.35 -34.25 33.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.16 63.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 23.24 111.092 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.625 HG23 ' HE3' ' A' ' 83' ' ' LYS . 47.9 mm -67.74 -52.67 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.3 111.15 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -51.31 -34.95 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.924 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -72.26 -43.44 64.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.5 mtt -65.94 -50.45 64.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.34 39.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 55.22 111.134 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -63.85 -43.68 95.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -59.24 -35.95 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -82.88 -29.69 29.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 65.21 45.45 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 71.2 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 mt -96.98 150.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.111 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.42 66.41 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 51.43 110.915 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.76 135.36 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.166 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -99.38 -178.29 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 43.21 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 38.5 mt -144.75 111.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 55.25 111.151 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -99.98 152.2 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.885 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -134.86 107.65 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 43.52 110.894 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -142.35 174.35 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 65.13 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 163.44 13.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 73.54 110.929 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.719 ' O ' HG12 ' A' ' 43' ' ' VAL . 7.7 tp -52.94 -29.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.52 111.127 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.9 -27.42 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.174 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.04 26.83 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 52.03 110.882 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.4 p -120.88 22.51 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.132 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.6 -67.2 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 65.42 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.64 35.84 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.266 . . . . 64.31 112.33 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HB3' HD21 ' A' ' 5' ' ' LEU . 35.3 m-85 -92.9 37.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.915 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.44 -47.47 3.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 75.14 110.844 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.13 -41.0 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 65.05 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -54.34 -57.42 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.116 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HB2' HD11 ' A' ' 5' ' ' LEU . . . -56.8 179.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 74.25 111.08 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.736 ' O ' HD22 ' A' ' 52' ' ' LEU . 11.4 m-20 -116.52 -41.39 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.882 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.736 HD22 ' O ' ' A' ' 51' ' ' ASP . 3.4 mm? -135.47 169.06 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 43.42 110.902 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 5' ' ' LEU . 29.4 tp -157.01 115.9 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 63.22 110.897 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.91 121.22 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.179 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -146.27 156.82 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.124 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.412 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 1.7 t -116.61 -33.05 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.121 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.675 ' HB2' ' HA3' ' A' ' 9' ' ' GLY . . . -60.59 -174.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 65.34 111.115 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -99.22 163.6 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.586 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 1.8 m -160.04 147.12 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.44 111.186 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -108.0 -36.02 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.887 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 140.38 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.854 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -76.14 99.97 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.889 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CZ ' HG21 ' A' ' 59' ' ' THR . 40.3 m-85 -65.99 143.51 57.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.94 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -98.86 36.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 75.24 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HE2' HG22 ' A' ' 67' ' ' VAL . 1.2 p90 -164.41 157.92 15.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 74.44 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HG2' HD11 ' A' ' 52' ' ' LEU . 54.1 Cg_endo -69.78 79.92 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 73.41 112.357 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 63' ' ' TYR . 48.0 t -51.6 146.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 62.21 111.118 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.507 HG21 HD11 ' A' ' 86' ' ' ILE . 26.5 mm -119.27 105.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 70.41 111.159 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -55.69 126.13 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 64.24 110.931 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' A' ' 56' ' ' THR . . . -99.32 37.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -62.28 -38.29 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.15 -37.99 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.791 ' CE2' HG13 ' A' ' 18' ' ' VAL . 72.0 m-85 -60.4 -35.97 77.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.901 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 tp -84.84 -35.57 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 75' ' ' THR . 2.6 t -153.0 110.17 3.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 53.53 111.151 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.95 -42.09 0.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 55.21 112.467 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mp 54.89 63.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 75.32 111.162 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -146.74 47.34 0.7 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 74.42 112.518 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.96 -35.06 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 63.34 111.131 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.83 -35.74 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -79.41 -41.99 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.919 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.5 m -61.42 -51.53 68.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.122 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.625 ' HE3' HG23 ' A' ' 22' ' ' ILE . 8.6 tptm -51.81 -34.91 42.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.888 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -34.26 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.928 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.98 -49.84 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 82' ' ' THR . 3.0 mp -65.32 -45.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.13 111.122 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' A' ' 91' ' ' GLN . 11.8 tp -56.99 -21.28 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 72.5 110.918 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.2 m -61.98 -16.05 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.15 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.05 -33.99 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.3 110.906 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.628 ' HG ' HG22 ' A' ' 86' ' ' ILE . 59.7 mt -49.96 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.503 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.8 pp0? -93.28 33.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.92 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.882 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 72.22 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -109.39 87.31 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.72 104.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 52' ' ' LEU . 57.3 t -115.04 112.47 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 71.53 111.183 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 50' ' ' ALA . 11.1 mp -82.36 173.74 11.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.883 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.7 t -149.33 115.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 75.34 111.165 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 40' ' ' ILE . . . -136.05 78.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.098 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.96 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.56 -54.12 4.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 22.5 112.522 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.72 130.51 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 73.24 111.097 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.17 -80.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 74.03 112.465 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.819 HG22 HG22 ' A' ' 14' ' ' THR . 3.9 mp -122.39 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 62.4 111.123 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.7 71.2 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.3 111.093 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.819 HG22 HG22 ' A' ' 12' ' ' ILE . 9.9 t -176.45 130.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.177 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 p -110.61 118.71 36.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.424 . . . . 71.44 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.594 HG22 ' OD1' ' A' ' 20' ' ' ASN . 5.8 m -122.21 -64.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 74.32 111.085 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -50.38 -41.77 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.778 HG22 ' HB3' ' A' ' 73' ' ' PHE . 21.8 t -58.85 -55.37 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 70.23 111.154 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -58.61 -55.36 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.594 ' OD1' HG22 ' A' ' 16' ' ' THR . 5.7 m120 -52.17 -29.27 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 73.44 110.845 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -81.37 -61.11 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 60.22 111.099 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.611 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 47.6 mm -52.48 -49.07 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.156 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -50.8 -33.16 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.67 -37.24 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 73.12 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -70.75 -54.17 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 65.11 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.5 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.43 111.062 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.49 -44.72 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.893 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.24 -35.67 67.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 60.11 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.56 -28.0 25.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 65.63 49.73 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 63.55 110.827 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 32' ' ' LYS . 17.0 mt -103.82 158.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.52 111.105 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.78 75.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 45.45 110.882 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.52 129.18 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.139 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -114.23 76.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.855 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 22' ' ' ILE . 83.9 mt -51.81 142.59 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.139 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.18 146.2 29.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 75.12 110.921 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.33 127.9 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 60.45 110.912 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -145.0 -176.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.145 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -79.22 153.57 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.24 110.911 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.6 tp -50.01 -30.56 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.129 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.2 p -86.63 -32.57 20.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.03 111.095 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -56.79 -27.09 59.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 73.52 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.5 p -64.46 -27.47 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 44.14 111.145 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.57 -68.15 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 53.53 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -22.86 31.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 74.12 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 16.9 m-85 -92.95 35.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.879 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.18 -40.69 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 53.42 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.98 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.845 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -51.82 -46.65 64.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 64.41 111.161 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -74.13 148.81 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.118 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -103.75 -58.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 70.35 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.646 ' HB2' HG22 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -103.16 157.93 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.916 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 43' ' ' VAL . 25.8 tp -152.77 134.35 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 43.51 110.888 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.9 t -121.28 119.77 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 31.41 111.13 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -147.42 131.0 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.2 111.151 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 ' C ' ' A' ' 70' ' ' ALA . 20.3 p -70.82 -42.63 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 64.52 111.16 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.14 -178.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 53.22 111.084 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -133.74 174.44 10.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.902 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.5 t -175.35 173.92 2.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 50.24 111.104 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -51.87 149.93 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 54.22 110.943 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.92 84.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 62.3 110.879 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.89 36.56 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 72.35 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CD1' HG21 ' A' ' 67' ' ' VAL . 18.8 m-85 -100.61 145.08 28.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.944 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -103.62 35.89 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -172.49 158.26 3.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 62.13 110.859 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.276 . . . . 73.3 112.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.597 HG21 ' CD1' ' A' ' 63' ' ' TYR . 48.2 t -67.0 146.69 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.125 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.69 HD13 ' CG1' ' A' ' 86' ' ' ILE . 5.0 mt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -76.79 140.54 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 63.11 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -105.83 35.19 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -58.29 -35.78 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 54.22 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -67.26 -17.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 61.34 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.778 ' HB3' HG22 ' A' ' 18' ' ' VAL . 80.6 m-85 -91.14 37.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.3 110.888 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -112.9 -34.8 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 74.01 110.888 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 p -93.11 -35.19 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.162 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.74 -30.29 5.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 44.13 112.494 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.2 mm -105.48 151.77 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 75.05 111.163 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.95 21.61 27.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.44 112.491 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.722 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 98.8 mt -68.89 -35.47 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 72.54 111.128 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.12 -35.54 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.33 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -51.67 -36.12 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.649 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.9 m -99.54 -35.15 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 62.12 111.163 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HE3' HG23 ' A' ' 22' ' ' ILE . 6.5 tptm -51.71 -35.92 44.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 63.43 110.919 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -59.87 -46.0 90.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -56.19 -51.54 67.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.789 HG22 HD13 ' A' ' 90' ' ' LEU . 2.8 mp -64.92 -50.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.33 111.154 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -52.35 -41.7 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.897 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.0 m -54.53 -25.92 28.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.137 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -99.5 -38.41 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 HG22 ' A' ' 86' ' ' ILE . 2.3 mp -51.03 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.932 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -36.93 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.916 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.92 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.836 0.35 . . . . 65.12 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 4' ' ' VAL . 28.1 mmmt -122.43 81.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 42.31 110.887 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -61.51 101.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 2' ' ' LYS . 23.1 t -109.32 141.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 62.34 111.106 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' A' ' 46' ' ' TYR . 47.2 mt -95.04 174.36 7.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.885 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -150.12 89.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 111.155 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.68 106.66 15.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 43.23 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -95.35 153.13 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.1 84.46 0.71 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.734 -0.746 . . . . 63.44 112.48 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 13' ' ' ALA . . . -122.18 -48.83 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.344 . . . . 62.13 111.096 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.19 -54.73 3.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 54.21 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.3 mm -104.78 -46.07 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 74.24 111.119 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . . . -64.99 179.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.118 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -122.61 142.97 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.21 111.147 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -88.91 70.02 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 51.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -101.48 -41.07 6.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 35.22 111.176 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.1 t -52.38 -55.58 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.135 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG13 ' CE2' ' A' ' 73' ' ' PHE . 90.1 t -51.66 -62.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 54.4 111.168 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -50.29 -53.88 25.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -56.43 -26.36 53.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.894 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.44 -34.35 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.063 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.496 HD12 ' HZ2' ' A' ' 83' ' ' LYS . 46.4 mm -76.48 -40.23 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.142 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.905 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.17 -34.95 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.8 -53.61 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.911 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.63 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.35 111.105 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -43.61 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 54.14 110.885 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.25 -35.71 74.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.57 -29.83 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.84 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 65.22 46.23 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.879 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.62 151.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 65.34 111.111 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.02 67.19 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.929 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.71 136.86 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 44.22 111.124 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.43 121.89 46.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.9 mt -83.1 145.97 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.22 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.57 ' HB3' HD23 ' A' ' 5' ' ' LEU . 4.9 mttp -147.24 134.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.41 110.912 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -119.16 130.61 55.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.57 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.25 178.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.123 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 164.45 15.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.885 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 41' ' ' THR . 6.3 tp -55.55 -32.45 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.126 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 HG23 ' A' ' 40' ' ' ILE . 58.8 p -95.01 28.34 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.173 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.97 -28.36 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG23 HD12 ' A' ' 5' ' ' LEU . 8.0 p -67.02 -25.18 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 75.21 111.158 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.42 1.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 51.23 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.4 33.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 64.04 112.323 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.739 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.2 m-85 -92.05 37.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 72.13 110.935 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.15 -36.15 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.24 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.11 -52.65 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.848 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -62.83 -50.65 70.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.155 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -68.04 128.76 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 43.43 111.069 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.33 -64.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 64.41 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.3 mm? -103.03 170.71 7.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.923 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.549 ' CD2' HG21 ' A' ' 43' ' ' VAL . 38.5 tp -154.29 123.47 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 64.22 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.8 t -118.11 110.26 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.123 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -134.0 146.19 50.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 73.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.0 p -57.61 -47.84 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.32 111.165 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.43 163.6 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -177.69 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 31.34 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 p -115.58 -172.93 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 73.23 111.118 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -97.05 -36.07 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -64.34 -173.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.51 110.887 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -109.3 97.68 7.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.866 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.518 ' CD1' HG21 ' A' ' 67' ' ' VAL . 6.4 m-85 -54.94 158.28 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 73.54 110.925 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -111.46 37.15 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.914 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 158.3 4.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 63.15 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.62 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 74.52 112.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 63' ' ' TYR . 76.3 t -69.36 144.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.43 111.124 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.13 112.94 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.14 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -51.92 132.49 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.915 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.05 35.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 53.42 111.088 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.661 ' O ' HG23 ' A' ' 75' ' ' THR . 21.2 mmm180 -74.55 -35.2 63.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.854 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -55.17 -34.53 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.904 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.796 ' CE2' HG13 ' A' ' 18' ' ' VAL . 67.2 m-85 -63.32 -20.24 65.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.02 -35.09 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 51.41 110.919 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 71' ' ' ARG . 59.1 p -50.88 -46.07 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.147 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.78 36.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 60.01 112.502 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt 64.56 57.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 74.23 111.152 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.72 47.7 1.87 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 73.51 112.445 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.8 mt -80.17 -34.05 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 50.51 111.139 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.9 -34.97 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 43.35 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -94.29 -51.6 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 61.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -51.33 -47.89 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 72.11 111.164 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HZ2' HD12 ' A' ' 22' ' ' ILE . 15.1 tptt -52.08 -34.03 41.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 54.21 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -59.29 -35.37 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -66.87 -48.75 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.73 -48.5 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 65.32 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.42 -32.53 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 63.15 110.896 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.516 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 96.5 m -49.61 -31.23 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 44.23 111.136 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -113.83 -31.38 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.844 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 tp -50.32 -44.52 54.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.914 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.96 -35.71 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 70.5 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.516 ' NZ ' HG23 ' A' ' 88' ' ' THR . 16.3 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.922 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 74.41 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HB3' HD22 ' A' ' 90' ' ' LEU . 27.3 mmmt -88.26 102.84 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.942 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -80.14 110.4 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 52' ' ' LEU . 88.1 t -122.25 132.26 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.13 111.131 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 38' ' ' ILE . 4.9 mp -114.4 176.88 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 52.23 110.912 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -148.46 104.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 54.5 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.39 99.64 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.125 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -109.72 111.1 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 62.03 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.36 41.32 2.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 32.25 112.48 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 62.43 111.097 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.86 -46.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 71.02 112.475 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.687 HG23 HG23 ' A' ' 14' ' ' THR . 10.8 tp -126.3 149.32 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 75.32 111.112 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.7 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.51 111.097 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.687 HG23 HG23 ' A' ' 12' ' ' ILE . 19.9 p -139.16 38.04 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 70.5 111.12 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -104.87 36.68 2.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.823 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.55 -58.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.148 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.36 -43.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 61.02 111.169 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 73' ' ' PHE . 41.5 t -58.68 -66.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.41 111.14 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.613 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.8 t30 -51.3 -45.12 62.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.855 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.37 -35.02 76.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -44.24 49.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 70.11 111.097 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.705 HD12 ' HD3' ' A' ' 83' ' ' LYS . 50.8 mm -66.91 -52.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.07 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.42 -33.8 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.97 -36.2 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.05 110.86 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.87 -51.91 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -38.91 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.066 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -61.26 -48.02 83.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.24 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.19 -36.13 51.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.874 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -84.38 -25.14 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 66.08 51.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 70.15 110.889 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mt -112.77 148.35 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 54.32 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -73.67 74.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.879 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.8 t -107.28 119.52 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.24 111.146 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -89.56 107.57 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.613 HG21 ' OD1' ' A' ' 19' ' ' ASN . 80.8 mt -89.35 124.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.151 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -125.12 163.21 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.928 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -146.07 106.45 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 62.24 110.931 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.696 HD12 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -141.96 175.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 72.55 111.101 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -97.45 163.69 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.865 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.73 ' O ' HG12 ' A' ' 43' ' ' VAL . 3.0 mp -53.5 -29.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.33 111.108 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -78.54 -28.7 46.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -101.38 28.62 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 70.33 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.0 p -118.28 21.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 63.21 111.152 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.2 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 73.32 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.66 35.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 62.51 112.334 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -93.42 36.75 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.909 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.04 -48.68 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 62.55 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.07 -35.86 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.6 p -62.41 -50.8 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 64.41 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HB2' ' CD1' ' A' ' 5' ' ' LEU . . . -51.46 169.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.63 -35.85 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.603 ' O ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -150.9 132.31 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 62.15 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 54' ' ' VAL . 28.9 tp -112.53 146.02 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 65.14 110.94 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' H ' HD12 ' A' ' 53' ' ' LEU . 95.3 t -126.49 105.89 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.13 111.126 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 t -128.94 154.65 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.146 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -102.26 -36.13 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.53 -169.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 31.15 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -114.01 176.18 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.03 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -161.2 157.67 26.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 62.31 111.1 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -78.02 59.68 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.933 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 39.35 41.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.877 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -101.97 41.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 75.53 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.647 ' CD1' HG21 ' A' ' 67' ' ' VAL . 20.8 m-85 -124.52 130.84 53.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 72.15 110.918 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -95.83 35.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.94 158.28 21.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.21 110.881 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 80.84 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 63.45 112.331 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 63' ' ' TYR . 96.3 t -51.67 144.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 31.32 111.125 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.869 HG21 HD11 ' A' ' 86' ' ' ILE . 44.7 mm -120.31 111.94 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 63.42 111.139 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.83 128.81 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -106.31 35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.53 111.078 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.842 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -57.85 -41.11 81.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 60.5 m-85 -54.49 -35.11 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.92 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.8 -34.86 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.912 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -154.61 111.86 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.52 111.133 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.02 -35.9 1.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 63.41 112.481 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt 51.82 66.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 63.33 111.127 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.73 45.12 0.6 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 75.54 112.48 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.2 mt -57.27 -35.03 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.45 111.112 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -53.3 -34.9 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.894 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.81 -50.9 18.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 61.13 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -61.97 -59.42 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.144 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.705 ' HD3' HD12 ' A' ' 22' ' ' ILE . 7.0 mmmt -51.84 -34.21 39.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.89 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.42 -35.37 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.34 -51.61 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.869 HD11 HG21 ' A' ' 68' ' ' ILE . 2.7 mp -56.11 -37.27 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.136 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.98 -32.72 71.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.9 m -61.69 -26.04 67.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.164 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.45 -35.34 8.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.858 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 2' ' ' LYS . 13.6 mt -50.66 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 60.42 110.959 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -37.02 34.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 72.22 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 4' ' ' VAL . 13.9 mmmt -98.9 77.5 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 70.51 110.886 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -51.87 110.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 64.21 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 52' ' ' LEU . 75.6 t -117.94 109.99 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 52.31 111.119 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.8 mm? -87.19 169.82 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.8 t -149.36 108.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.5 103.82 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 55.03 111.1 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.77 169.07 17.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.907 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.82 -98.96 2.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 74.32 112.491 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -174.97 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.345 . . . . 51.13 111.094 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.26 141.52 12.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 71.25 112.447 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.7 tt -71.85 -35.43 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 74.1 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.89 167.39 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 64.04 111.094 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -102.58 -177.82 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 65.24 111.108 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 p -96.1 36.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 33.32 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -78.15 -43.71 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.15 111.167 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.59 -49.6 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.093 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 ' CE2' ' A' ' 73' ' ' PHE . 99.9 t -51.04 -65.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 63.1 111.143 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.656 ' OD1' HG21 ' A' ' 35' ' ' ILE . 4.7 t30 -51.78 -47.01 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -51.21 -32.12 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 -46.62 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 41.02 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.31 -33.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 64.31 111.148 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.42 -22.34 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -80.85 -44.07 18.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.48 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.842 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.03 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.02 111.135 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -74.01 -36.26 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.1 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.99 -39.01 93.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 71.31 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -81.07 -26.2 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.848 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 65.96 48.84 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 71.01 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 91' ' ' GLN . 17.0 mt -103.62 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 62.01 111.118 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.67 75.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.888 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.33 124.85 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.35 111.105 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -110.21 75.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.656 HG21 ' OD1' ' A' ' 19' ' ' ASN . 72.5 mt -55.22 139.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 60.44 111.169 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.535 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -159.37 156.72 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 63.0 110.89 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -139.21 130.56 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.977 HD11 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -143.04 159.7 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 64.01 111.154 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -61.27 156.79 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 tp -50.23 -40.01 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 52.31 111.156 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -68.38 -33.28 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 61.22 111.125 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.89 -26.29 64.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.893 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 38' ' ' ILE . 95.9 t -66.31 -26.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 55.33 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -23.39 30.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.657 2.238 . . . . 55.51 112.392 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.57 35.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 62.41 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -97.91 -43.71 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 63.04 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.71 -49.58 51.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 53.25 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -62.22 -50.34 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 71.31 111.114 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.677 ' HB2' HD23 ' A' ' 5' ' ' LEU . . . -57.26 146.24 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 54.12 111.09 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -49.85 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 1.028 HD11 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -123.99 108.14 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 54.1 110.886 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 5' ' ' LEU . 48.3 tp -100.85 142.75 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 42.13 110.919 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -125.0 100.66 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.139 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -123.97 119.78 30.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.2 111.147 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 t -92.17 44.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 60.43 111.169 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.43 -175.07 4.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 51.33 111.083 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 ttt -62.49 141.47 58.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.874 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' CZ ' ' A' ' 63' ' ' TYR . 0.9 OUTLIER -131.58 117.15 18.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.135 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -122.04 -36.33 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 70.13 110.887 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.93 151.8 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.909 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -78.22 67.69 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 54.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CZ ' HG22 ' A' ' 59' ' ' THR . 94.6 m-85 -51.99 139.88 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.885 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -96.34 35.71 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.918 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.21 158.32 10.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 70.25 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 65.24 112.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.3 t -50.62 134.83 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.028 HD12 HD11 ' A' ' 52' ' ' LEU . 88.6 mt -117.28 105.22 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 70.14 111.114 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.26 133.64 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -96.1 39.64 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 71.25 111.045 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -52.51 -38.29 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 71.43 110.836 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.406 ' CG ' ' HG1' ' A' ' 82' ' ' THR . 3.7 p-10 -61.1 -36.37 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.904 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 18' ' ' VAL . 53.8 m-85 -65.62 -35.73 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tp -82.0 -33.06 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 75' ' ' THR . 3.0 t -156.84 112.5 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 63.34 111.178 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.05 -43.01 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 74.34 112.527 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mt 59.59 61.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 73.45 111.159 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.3 53.37 0.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.483 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 55.8 mt -50.9 -43.07 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 64.14 111.095 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.58 -38.58 55.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.4 110.91 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.88 -60.46 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.14 110.878 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.667 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -59.04 -40.76 86.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 70.01 111.14 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.467 ' HD3' HG22 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -50.35 -35.37 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.897 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -55.39 -35.05 64.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 72.45 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -84.51 -51.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.742 HG13 HD13 ' A' ' 68' ' ' ILE . 2.8 mp -53.86 -53.24 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.158 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.84 -34.44 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 m -53.09 -29.96 33.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 71.11 111.179 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -131.98 31.4 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 54.44 110.893 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.26 -34.83 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.04 110.936 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.731 ' HB3' HD13 ' A' ' 31' ' ' ILE . 4.1 pp0? -119.71 -28.89 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.926 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.874 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 72.2 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HE3' HD23 ' A' ' 90' ' ' LEU . 1.1 mmmp? -132.04 91.88 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -74.93 121.81 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.903 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 52' ' ' LEU . 97.2 t -123.11 142.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.167 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.663 HD22 HD12 ' A' ' 38' ' ' ILE . 44.3 mt -98.87 169.63 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 53.22 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.43 101.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.149 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.52 99.26 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.103 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.58 -35.12 78.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 73.12 110.906 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.2 62.62 5.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 61.45 112.509 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.3 -71.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 61.54 111.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.71 -65.15 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 55.31 112.482 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.6 mp -90.19 -64.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 75.23 111.114 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.68 146.81 37.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.41 111.086 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 p -104.17 164.07 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.146 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -66.33 100.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 62.43 110.849 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.78 -50.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 44.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.38 -53.7 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 14.45 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 73' ' ' PHE . 96.5 t -51.61 -65.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.109 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -50.19 -53.64 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.872 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -51.19 -32.82 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 63.04 110.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.54 -38.8 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.52 -34.13 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 62.32 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.95 -32.77 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.41 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.31 -35.88 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.889 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 ptm -87.29 -40.62 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 65.24 110.842 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.94 -45.55 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 71.43 111.106 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -58.57 -37.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.5 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.06 -41.03 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -74.2 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 60.11 110.877 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.6 42.37 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 63.25 110.867 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 mt -98.04 150.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.54 111.105 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.98 61.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.866 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -124.22 121.76 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 44.3 111.107 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.85 133.22 52.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.831 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.7 mt -89.09 145.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.51 111.128 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -134.32 149.06 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.908 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -122.71 120.55 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 70.32 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.663 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.16 171.57 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.152 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -82.94 161.69 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.901 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.679 HG23 HG23 ' A' ' 41' ' ' THR . 7.0 tp -54.08 -36.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.31 111.121 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 40' ' ' ILE . 27.9 p -94.71 28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 64.51 111.147 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -120.16 -24.34 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.879 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.715 HG21 HD22 ' A' ' 53' ' ' LEU . 7.3 p -68.61 -23.91 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.11 111.137 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -66.37 1.73 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 51.03 112.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -20.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 55.01 112.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.634 ' HB3' HD11 ' A' ' 5' ' ' LEU . 14.0 m-85 -91.84 36.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 63.33 110.903 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -89.23 -36.29 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.78 -61.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -56.37 -51.51 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.34 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -80.99 119.57 23.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 65.13 111.111 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -84.31 -50.58 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -99.19 145.48 27.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 63.45 110.942 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.715 HD22 HG21 ' A' ' 43' ' ' VAL . 19.8 tp -136.64 146.17 45.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.944 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.3 t -142.59 120.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 111.155 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -148.27 159.96 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.114 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' ALA . 19.1 p -100.55 -39.56 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.124 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.44 -179.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 61.14 111.079 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -59.72 163.6 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.14 110.888 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.443 HG21 HG11 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -149.09 103.88 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.02 111.178 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.41 110.914 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -108.65 50.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 70.15 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -127.94 34.83 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 61.4 110.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -111.44 147.0 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.916 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -108.35 42.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 70.24 110.891 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.1 p90 -168.13 158.0 8.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 71.45 110.933 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.757 2.304 . . . . 44.2 112.32 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG11 HG21 ' A' ' 59' ' ' THR . 43.6 t -56.44 147.5 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 64.15 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.843 HD12 HD11 ' A' ' 52' ' ' LEU . 10.4 mt -131.51 119.96 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 72.43 111.164 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -63.35 137.49 58.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.66 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -95.08 34.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.12 111.089 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -61.42 -34.54 75.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.844 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.01 -30.84 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.34 110.852 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 35.7 m-85 -88.83 45.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.88 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -116.43 -34.36 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.934 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -86.11 -63.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.198 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.01 -22.11 0.3 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 62.52 112.515 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.37 176.86 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 74.51 111.147 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.84 7.04 59.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 64.31 112.5 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.718 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.5 mt -60.82 -48.54 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.336 . . . . 62.21 111.136 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.49 -35.99 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 51.24 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -60.63 -68.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.899 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.549 ' O ' HD12 ' A' ' 86' ' ' ILE . 95.4 m -56.6 -35.75 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.156 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.68 -34.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.9 -34.65 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -71.58 -49.04 44.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 60.45 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.782 HG13 HD13 ' A' ' 68' ' ' ILE . 4.0 mp -63.74 -49.28 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.125 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.475 HD11 ' HG2' ' A' ' 91' ' ' GLN . 18.0 tp -52.0 -35.77 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.13 110.976 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.3 m -51.27 -31.26 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.2 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.59 -41.09 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.9 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 86' ' ' ILE . 60.9 mt -51.1 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.475 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.9 pp0? -96.77 31.42 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.952 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.904 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.357 . . . . 44.2 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HE2' HD12 ' A' ' 90' ' ' LEU . 11.9 mmmt -134.29 83.45 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.882 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -69.41 98.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.912 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 52' ' ' LEU . 43.0 t -108.51 115.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 61.31 111.103 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 46' ' ' TYR . 10.8 mp -75.74 173.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 51.1 110.921 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -150.28 99.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.136 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.764 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -101.92 156.41 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.097 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -130.63 169.2 15.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.34 53.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 72.31 112.519 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 61.44 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.15 -124.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 51.11 112.447 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.2 mt -74.67 92.87 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 71.25 111.146 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.63 176.84 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.126 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.32 164.24 28.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 71.1 111.159 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 p -95.48 49.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.25 110.878 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.445 HG22 ' OD1' ' A' ' 20' ' ' ASN . 1.2 m -119.52 -41.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.132 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.05 -41.35 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.808 HG22 ' HB3' ' A' ' 73' ' ' PHE . 21.4 t -59.44 -60.77 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 64.53 111.145 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -58.59 -52.32 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.88 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.445 ' OD1' HG22 ' A' ' 16' ' ' THR . 3.7 m120 -51.81 -29.01 17.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.912 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 -60.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.073 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.711 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 47.7 mm -51.69 -33.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.172 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.32 -32.58 62.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.898 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.575 ' CE ' HG21 ' A' ' 79' ' ' ILE . 15.8 ptp -92.33 -41.08 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.063 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -58.29 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 70.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -69.08 -36.06 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -73.2 -26.48 61.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.846 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.18 43.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.886 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 mt -106.04 151.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 71.42 111.162 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 73.57 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.911 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.03 129.27 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.104 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.28 78.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 70.3 110.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.3 mt -55.57 133.15 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.121 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 147.11 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.903 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -123.03 129.17 51.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 63.23 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.46 174.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.163 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -82.05 161.23 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.894 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.91 -37.66 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -95.96 29.45 2.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.142 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -119.78 -23.11 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 62.24 110.855 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 53' ' ' LEU . 6.8 p -68.5 -23.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 64.51 111.129 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.21 -67.07 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.32 112.509 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -21.29 33.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 61.42 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.525 ' HB3' HD21 ' A' ' 5' ' ' LEU . 15.8 m-85 -92.34 37.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.15 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -99.41 -36.18 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 75.54 110.908 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.97 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.833 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.6 p -56.0 -51.43 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.119 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -64.32 141.68 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.109 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -89.74 -59.96 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.742 ' CD1' HG23 ' A' ' 86' ' ' ILE . 3.8 mt -108.41 168.15 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 43' ' ' VAL . 27.6 tp -148.94 137.13 20.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 1.032 HG12 ' HB2' ' A' ' 70' ' ' ALA . 28.5 t -135.98 112.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 55.13 111.113 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.764 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 5.6 t -142.35 143.1 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 60.54 111.133 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -64.18 -35.46 80.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 55.41 111.151 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 55' ' ' THR . . . -100.53 -171.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.077 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 ptp -148.32 -177.69 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 51.23 110.861 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.503 HG22 ' CE1' ' A' ' 63' ' ' TYR . 14.5 t -137.51 174.27 10.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 64.43 111.113 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -80.15 -35.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.847 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 63.33 110.921 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -104.48 110.22 22.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CE1' HG22 ' A' ' 59' ' ' THR . 65.9 m-85 -70.8 150.28 46.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 61.21 110.957 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -100.32 36.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -165.73 158.16 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 73.14 110.841 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 79.95 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 71.43 112.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.54 ' O ' HD13 ' A' ' 68' ' ' ILE . 46.7 t -52.66 147.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 71.42 111.141 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 67' ' ' VAL . 31.9 mm -129.42 110.02 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.146 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.72 131.16 30.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 51.4 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 1.032 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.79 34.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.05 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -34.84 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 64.11 110.845 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.09 -30.92 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.04 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.808 ' HB3' HG22 ' A' ' 18' ' ' VAL . 78.3 m-85 -90.45 45.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 73.04 110.909 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.49 -35.04 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 72.23 110.921 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -101.19 -39.79 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 72.41 111.14 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 77' ' ' ILE . . . 125.27 31.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 44.34 112.463 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 76' ' ' GLY . 1.3 pp -158.29 176.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 72.44 111.174 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.69 37.68 89.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 50.11 112.495 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.77 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 75.8 mt -87.64 -33.48 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 54.23 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -72.29 -34.54 68.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.853 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.03 -33.67 75.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 61.34 110.888 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.647 ' O ' HD12 ' A' ' 86' ' ' ILE . 54.5 m -93.46 -34.1 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.4 111.134 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -50.18 -45.57 53.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -50.36 -44.78 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.41 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -57.0 -46.21 82.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.951 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 52' ' ' LEU . 4.1 mp -69.36 -53.95 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 44.32 111.138 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -50.06 -32.81 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.922 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.9 m -49.99 -30.26 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.18 -32.13 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' HE2' ' A' ' 2' ' ' LYS . 4.1 tp -49.43 -63.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.93 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.1 -38.9 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.85 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.808 0.337 . . . . 54.21 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.576 ' HE2' HD12 ' A' ' 90' ' ' LEU . 3.0 mmmm -98.77 71.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.921 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.87 112.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.916 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 2' ' ' LYS . 91.2 t -108.61 109.59 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.51 111.151 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 36' ' ' LYS . 4.3 mm? -77.4 172.32 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 65.35 110.863 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG11 HE22 ' A' ' 37' ' ' GLN . 95.3 t -150.31 106.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 74.23 111.086 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.29 161.04 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.01 111.131 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -158.51 130.66 6.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 42.41 110.857 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.96 -50.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 55.4 112.463 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.88 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.878 0.371 . . . . 62.32 111.072 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 113.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.22 134.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 74.02 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 -174.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 61.43 111.072 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -128.22 104.34 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 p -68.61 87.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.891 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -121.04 -52.05 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.24 111.167 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.42 -40.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.756 HG13 ' CE2' ' A' ' 73' ' ' PHE . 46.0 t -62.21 -67.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.42 111.145 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -51.36 -42.47 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.904 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.72 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 35.21 111.091 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' ' 83' ' ' LYS . 48.0 mm -77.57 -38.34 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.25 111.129 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -64.73 -35.74 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 65.51 110.908 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -76.69 -34.97 58.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.0 -50.02 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.47 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -69.57 -43.61 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.07 -35.91 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -80.23 -28.67 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 71.53 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 65.48 45.18 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.865 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.4 mt -98.98 151.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.42 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -75.39 69.25 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.916 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 90' ' ' LEU . 7.3 p -138.4 127.45 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.858 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -121.61 150.06 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 75.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.734 ' HB3' HD13 ' A' ' 5' ' ' LEU . 1.3 ttmm -149.82 145.0 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.894 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.456 HE22 HG11 ' A' ' 6' ' ' VAL . 9.8 mm100 -116.11 120.73 39.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 60.03 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.621 HD12 HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -142.68 177.93 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.13 111.153 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -98.03 166.45 11.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.931 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.735 ' O ' HG12 ' A' ' 43' ' ' VAL . 2.2 mp -56.54 -28.48 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.412 HG22 ' HB3' ' A' ' 39' ' ' LYS . 5.1 t -81.71 -27.58 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 53.31 111.141 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.48 -23.84 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 53.12 110.897 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 40' ' ' ILE . 3.6 p -68.26 -20.97 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.143 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.63 -67.4 1.68 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.552 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.04 35.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 72.51 112.312 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.41 34.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.99 -59.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.42 -51.37 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 72.35 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -53.46 -54.38 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 64.52 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.68 165.83 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.119 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.05 -49.79 3.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.875 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.527 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -117.88 150.33 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.904 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' H ' HD13 ' A' ' 52' ' ' LEU . 22.2 tp -140.03 146.06 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.43 110.885 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 68' ' ' ILE . 92.9 t -137.78 121.53 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 63.04 111.147 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -149.93 147.86 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.169 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -98.09 36.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 74.45 111.11 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.75 -172.33 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.13 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.83 164.63 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 55.04 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -161.26 160.8 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 75.45 111.21 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -89.4 49.24 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 65.51 110.889 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 51.85 52.83 13.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 63.4 110.896 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -113.17 36.31 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 70.25 110.902 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.683 ' CD1' HG21 ' A' ' 67' ' ' VAL . 29.1 m-85 -119.2 144.75 46.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.9 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -101.87 39.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.907 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.48 158.41 4.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 51.42 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.95 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 72.22 112.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 63' ' ' TYR . 97.9 t -57.68 139.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.692 ' O ' HG13 ' A' ' 54' ' ' VAL . 25.7 mm -115.51 107.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.154 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -63.33 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . . . -95.13 35.81 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.23 111.127 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -68.57 -42.01 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.887 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.15 -35.16 59.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.11 110.929 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.756 ' CE2' HG13 ' A' ' 18' ' ' VAL . 13.0 m-85 -58.73 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.875 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 34.51 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 71' ' ' ARG . 65.5 p -128.03 -39.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.11 36.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.683 -0.77 . . . . 73.22 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.4 mt 51.8 60.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 61.21 111.122 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.79 42.23 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 51.5 112.475 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.4 mt -69.55 -34.67 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 63.03 111.131 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -51.66 -35.62 43.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.57 -43.73 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.73 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.5 m -58.76 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.55 111.14 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.654 ' HE2' HG23 ' A' ' 22' ' ' ILE . 13.0 tptp -51.8 -35.17 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.914 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -60.23 -35.77 76.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 70.54 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -76.61 -52.11 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.904 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -58.82 -48.07 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.69 -34.66 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 60.11 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 m -49.79 -33.88 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.02 111.175 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -105.4 -34.76 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 63.04 110.909 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.576 HD12 ' HE2' ' A' ' 2' ' ' LYS . 8.1 tp -51.26 -62.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 74.42 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -97.36 -34.13 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.909 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.7 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.908 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.829 0.347 . . . . 73.22 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -97.61 155.69 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -134.27 119.22 18.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 52' ' ' LEU . 21.9 t -128.17 118.1 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 111.125 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.825 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.5 mm? -81.63 178.83 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -150.29 90.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 65.13 111.133 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.4 92.26 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.101 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t -128.72 116.8 20.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 62.4 110.885 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.38 80.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 63.42 112.467 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.74 111.74 22.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 54.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.01 -73.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 35.44 112.49 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -118.26 -42.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 63.35 111.136 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 155.14 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 54.31 111.089 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 t -137.27 145.02 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.24 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -82.05 111.45 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 55.51 110.87 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -123.78 -55.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 54.44 111.143 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -51.91 -52.39 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.121 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.781 HG22 ' HB3' ' A' ' 73' ' ' PHE . 38.5 t -51.65 -64.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.4 111.111 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -51.87 -56.27 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.945 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -50.88 -32.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.32 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -77.06 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 64.43 111.092 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 48.6 mm -57.82 -52.05 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.157 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.74 -34.18 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.866 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.26 -38.07 68.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.916 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 mmt -72.75 -50.7 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.914 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.41 -34.53 35.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.03 111.057 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -64.87 -42.54 94.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 64.21 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.07 -35.69 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -82.89 -30.34 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 65.06 45.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 32' ' ' LYS . 30.3 mt -96.01 155.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 44.44 111.154 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -77.09 59.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.92 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -105.49 127.31 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.1 111.149 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -103.02 99.78 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 62.32 110.849 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.35 139.13 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 70.52 111.149 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 5' ' ' LEU . 2.3 mmtm -143.44 145.82 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.35 110.909 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -141.69 122.36 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 61.14 110.926 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -141.48 178.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.087 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -95.55 158.26 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.883 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.715 ' O ' HG12 ' A' ' 43' ' ' VAL . 11.1 tp -51.71 -30.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.161 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.17 -30.05 31.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.153 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -95.8 28.52 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 63.4 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.5 p -120.95 22.15 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 73.02 111.122 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.81 -67.85 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -19.46 36.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 73.02 112.383 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -92.86 38.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.908 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -107.12 -36.11 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 73.04 110.929 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.35 -43.99 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -52.94 -54.75 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 51.33 111.11 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 159.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 55.33 111.084 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.686 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -106.78 -38.86 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.82 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 51' ' ' ASP . 3.8 mm? -130.61 169.13 16.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 64.45 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.825 HD13 ' HB2' ' A' ' 5' ' ' LEU . 21.9 tp -163.6 136.87 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.939 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 70' ' ' ALA . 29.5 t -117.98 119.57 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 54.22 111.139 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -139.67 148.61 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.41 111.155 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -76.88 -35.95 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.05 111.189 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.02 158.17 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -89.48 176.68 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 63' ' ' TYR . 14.6 t -135.13 173.68 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -74.2 -36.72 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 75.21 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -54.81 172.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.932 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.0 112.88 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 61.34 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 59' ' ' THR . 41.9 m-85 -79.66 135.05 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 62.13 110.952 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -96.18 36.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.899 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' HD23 ' A' ' 53' ' ' LEU . 1.2 p90 -162.03 157.81 20.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.691 0.757 . . . . 73.52 110.869 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 54.51 112.4 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG22 ' HE2' ' A' ' 65' ' ' PHE . 47.7 t -53.47 146.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 65.12 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.93 148.45 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 72.22 111.159 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -86.82 138.42 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.883 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.533 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -112.34 35.85 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 61.12 111.092 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -64.21 -36.09 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 70.03 110.818 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.38 -33.72 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.781 ' HB3' HG22 ' A' ' 18' ' ' VAL . 49.2 m-85 -68.36 -29.31 68.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -35.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.955 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 t -96.42 -33.05 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 62.42 111.159 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.551 ' O ' HD13 ' A' ' 77' ' ' ILE . . . 97.62 32.64 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 74.41 112.476 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.551 HD13 ' O ' ' A' ' 76' ' ' GLY . 27.3 mm -139.54 147.91 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 74.43 111.136 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.01 48.95 30.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 64.43 112.513 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.632 HD13 ' HB1' ' A' ' 21' ' ' ALA . 74.4 mt -85.9 -34.38 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 72.21 111.163 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -69.5 -43.5 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.25 110.891 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.48 -46.5 73.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 65.42 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 86' ' ' ILE . 5.4 m -78.87 -36.98 41.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.3 111.115 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' HD12 ' A' ' 22' ' ' ILE . 9.0 mmmt -51.86 -33.58 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.849 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.26 -34.95 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -71.02 -51.24 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.85 HG22 HD11 ' A' ' 90' ' ' LEU . 3.5 mp -64.68 -48.16 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.51 111.121 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 90' ' ' LEU . 14.7 tp -51.51 -34.01 34.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -52.03 -30.34 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 45.31 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.64 ' CD ' HD11 ' A' ' 52' ' ' LEU . 12.7 pt-20 -112.8 29.11 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 62.23 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.85 HD11 HG22 ' A' ' 86' ' ' ILE . 81.5 mt -126.14 -35.54 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 65.14 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -115.61 -25.17 7.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.53 110.894 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.922 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 43.4 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -122.42 79.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 61.33 110.849 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -57.77 123.14 14.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 2' ' ' LYS . 63.3 t -130.95 133.5 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 63.25 111.086 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.83 HD11 ' HB3' ' A' ' 46' ' ' TYR . 55.2 mt -89.53 175.45 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -150.17 87.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.16 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -103.54 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 22.33 111.096 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -169.4 165.38 10.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.87 50.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 74.13 112.497 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.09 36.08 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 64.35 111.091 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.86 36.09 54.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 64.55 112.536 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -97.14 149.46 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 73.11 111.155 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.7 -59.69 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.44 111.051 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -159.61 162.67 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 65.44 111.137 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.4 p -98.46 42.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 65.13 110.829 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -47.65 24.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.5 111.185 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.8 -47.0 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 64.5 111.148 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.96 -68.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.137 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.573 ' OD1' HG21 ' A' ' 35' ' ' ILE . 11.0 t30 -51.72 -40.09 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.862 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 62.03 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.73 -41.2 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.102 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.646 HD12 ' HE3' ' A' ' 83' ' ' LYS . 50.6 mm -68.12 -49.48 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.098 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -35.64 37.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 71.1 110.868 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.87 -39.6 66.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 61.03 110.927 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtt -68.38 -49.46 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 64.4 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.59 40.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -46.27 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.885 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.02 -37.58 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 63.4 110.84 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.64 -30.44 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.854 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 64.83 42.28 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.02 149.54 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 55.02 111.147 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.36 65.52 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.891 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 p -118.23 142.34 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.1 111.116 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.71 123.78 46.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.908 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.573 HG21 ' OD1' ' A' ' 19' ' ' ASN . 51.6 mt -86.11 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -144.63 139.31 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.906 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.02 123.57 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.512 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -140.69 168.56 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 72.14 111.149 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 160.2 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.879 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.699 HG23 HG23 ' A' ' 41' ' ' THR . 6.6 tp -52.25 -38.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.105 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 40' ' ' ILE . 31.5 p -94.87 28.97 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.142 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -119.63 -21.87 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.642 HG21 HD22 ' A' ' 53' ' ' LEU . 6.8 p -68.73 -24.09 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.095 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.14 -66.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 70.01 112.527 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -20.96 34.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 73.23 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.83 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.1 m-85 -92.06 37.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.955 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.59 -35.94 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 72.01 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.8 -65.05 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.74 -42.76 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 63.22 111.104 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -82.2 144.03 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 70.45 111.092 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.23 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 64.11 110.88 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.824 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -96.71 137.24 36.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.895 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 43' ' ' VAL . 19.1 tp -127.28 117.59 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.936 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -113.25 111.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 71.43 111.139 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 57' ' ' ALA . 6.7 t -151.75 143.69 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.175 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -64.03 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 55' ' ' THR . . . -100.52 -169.86 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 61.34 111.108 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ptm -156.41 172.99 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 53.32 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.554 HG23 ' OH ' ' A' ' 63' ' ' TYR . 66.3 p -104.35 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.25 111.101 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -36.27 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.14 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.55 177.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.87 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.91 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.22 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.554 ' OH ' HG23 ' A' ' 59' ' ' THR . 9.0 m-85 -62.7 160.74 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.42 110.895 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 35.99 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 74.2 110.873 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.456 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -169.83 158.1 6.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.741 . . . . 73.35 110.876 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.686 2.257 . . . . 74.54 112.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 63' ' ' TYR . 47.7 t -61.19 146.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.119 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.826 HD13 HG12 ' A' ' 86' ' ' ILE . 4.0 mt -130.29 130.16 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.34 111.087 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -87.76 123.51 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -95.15 44.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.108 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -61.48 -40.04 93.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.862 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -52.78 -41.04 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.9 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 49.1 m-85 -55.0 -35.27 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.914 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.13 -34.59 17.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 t -154.98 112.38 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 60.23 111.183 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.92 -36.81 1.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 62.23 112.517 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm 56.02 62.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 53.45 111.085 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.37 49.85 0.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 54.14 112.485 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.725 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.2 mt -51.35 -52.26 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 60.31 111.136 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.72 -36.0 45.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.48 -39.76 92.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.45 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.679 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -80.22 -43.67 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 31.24 111.14 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.78 -34.94 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.945 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.5 -35.54 74.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.977 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -77.68 -51.93 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 43.11 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.826 HG12 HD13 ' A' ' 68' ' ' ILE . 2.7 mp -58.22 -50.12 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.17 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.89 -34.58 41.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 75.55 110.923 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 m -50.31 -33.9 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 70.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.58 -39.61 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.89 -55.17 38.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -36.21 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 70.42 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.928 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 71.21 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.692 ' HE2' HD12 ' A' ' 90' ' ' LEU . 7.7 mmmt -78.79 86.46 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.04 110.932 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -62.16 125.77 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 71.15 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 52' ' ' LEU . 48.6 t -133.65 137.69 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 65.21 111.131 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 46' ' ' TYR . 44.6 mt -97.59 172.59 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.934 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -149.85 106.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 64.24 111.157 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.58 175.67 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.4 p -158.18 172.65 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.896 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.16 147.82 18.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.507 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.84 104.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 72.14 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.1 -167.54 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 61.33 112.49 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 12' ' ' ILE . 5.4 mp -78.84 -58.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 61.14 111.11 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.42 144.92 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 72.34 111.122 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 p -97.5 -179.3 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 70.23 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 p -105.71 42.48 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.866 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.646 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -89.73 -49.74 6.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 71.54 111.13 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.3 t -51.56 -47.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 65.23 111.095 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.6 t -54.01 -67.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' A' ' 35' ' ' ILE . 6.3 t30 -51.62 -55.15 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 70.34 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.646 ' ND2' HG22 ' A' ' 16' ' ' THR . 6.3 m-80 -51.57 -33.81 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.924 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -75.48 -55.53 5.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 51.12 111.11 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.631 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 51.2 mm -55.41 -53.17 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.36 -33.75 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -71.45 -35.89 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 73.32 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mtt -76.0 -49.03 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.55 110.872 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.79 60.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 63.13 111.13 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -60.47 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.912 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.08 -35.58 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.3 110.853 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -75.32 -27.44 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 63.14 110.825 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 65.84 43.91 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.26 152.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -73.65 74.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 61.11 110.879 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.76 137.19 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 62.53 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.89 83.54 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 43.35 110.894 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.4 HG21 ' OD1' ' A' ' 19' ' ' ASN . 81.8 mt -61.66 143.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 75.24 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -151.58 137.23 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 70.1 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -114.85 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 43.43 110.929 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.09 172.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 60.3 111.144 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -82.36 162.58 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.876 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.485 HG22 HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -57.28 -28.74 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 64.34 111.141 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.485 HG23 HG22 ' A' ' 40' ' ' ILE . 58.6 p -98.48 25.94 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.141 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -121.89 -24.48 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG21 ' CD2' ' A' ' 53' ' ' LEU . 14.9 p -68.4 -23.97 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 71.4 111.138 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.32 -66.78 1.58 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 63.42 112.437 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.44 33.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 52.44 112.321 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.815 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.4 m-85 -92.39 37.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 65.01 110.956 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -91.89 -36.27 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.21 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.07 -64.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.835 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -51.77 -55.69 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.11 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -65.14 130.91 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.132 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.38 -64.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.3 mm? -96.22 155.25 16.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 53.52 110.876 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 43' ' ' VAL . 25.1 tp -149.03 126.13 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.932 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 68' ' ' ILE . 37.8 t -122.55 120.92 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.53 111.156 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 t -153.01 149.57 28.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.171 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -66.56 -35.92 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 61.42 111.111 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.55 -170.01 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 63.34 111.076 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 ttm -165.14 167.68 17.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.555 HG23 ' OH ' ' A' ' 63' ' ' TYR . 72.0 p -111.55 -176.24 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 61.41 111.111 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -95.76 77.1 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 65.3 110.926 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp 52.03 55.6 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 64.4 110.932 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.86 36.14 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.845 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.683 ' CD1' HG21 ' A' ' 67' ' ' VAL . 16.1 m-85 -126.06 130.86 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.923 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -94.69 38.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.864 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.98 158.03 9.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 70.44 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.41 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 70.11 112.379 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 63' ' ' TYR . 61.7 t -63.18 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 64.03 111.133 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 54' ' ' VAL . 25.9 mm -123.5 112.22 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.112 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -51.69 137.85 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.897 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.11 34.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.073 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -74.56 -35.05 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.884 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.9 -27.75 68.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 65.04 110.871 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 25.3 m-85 -89.24 44.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.23 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -145.28 32.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 72.03 110.947 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.0 p -132.26 -54.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 74.41 111.131 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.07 -31.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 65.12 112.482 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 77' ' ' ILE . 6.6 mt -142.68 34.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.895 0.378 . . . . 70.52 111.139 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.19 65.43 0.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 35.45 112.454 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.802 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 39.6 mt -125.6 -54.34 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 71.23 111.114 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -50.7 -35.68 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 61.42 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.64 -51.16 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.866 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.772 HG22 HD11 ' A' ' 86' ' ' ILE . 7.9 m -69.92 -44.56 69.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 63.05 111.148 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' HG3' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.36 -34.25 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.895 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.12 -35.43 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -75.29 -51.67 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 75.45 110.919 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.772 HD11 HG22 ' A' ' 82' ' ' THR . 3.4 mp -60.51 -38.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.159 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.07 -35.67 79.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.893 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.49 -34.53 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 73.33 111.201 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' OE1' HD11 ' A' ' 52' ' ' LEU . 11.8 pt-20 -100.45 -36.44 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.897 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.692 HD12 ' HE2' ' A' ' 2' ' ' LYS . 11.3 tp -53.24 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.923 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -105.64 32.49 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.949 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.852 0.358 . . . . 74.52 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.21 91.84 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.38 114.01 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.3 t -118.34 141.83 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 60.42 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' A' ' 46' ' ' TYR . 42.5 mt -99.54 169.54 9.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.883 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -148.0 90.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.121 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.64 157.67 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 75.1 111.128 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p -171.8 133.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 54.42 110.863 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.51 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 62.21 112.484 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 -53.13 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 62.44 111.133 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.53 42.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 61.04 112.459 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -141.57 149.42 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.36 . . . . 65.42 111.128 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.61 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 44.44 111.092 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.41 151.46 38.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.43 111.121 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 p -76.17 81.42 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -88.18 -51.68 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.21 111.12 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.67 -48.19 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 64.31 111.105 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.37 -66.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 60.24 111.112 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.625 ' OD1' HG21 ' A' ' 35' ' ' ILE . 17.6 t30 -52.09 -42.54 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.851 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.87 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -43.79 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.14 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.726 HD12 ' HE3' ' A' ' 83' ' ' LYS . 50.2 mm -66.52 -50.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 62.31 111.15 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -51.34 -35.92 40.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 53.4 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -70.5 -36.86 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.882 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mtt -73.19 -48.88 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.15 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.29 -43.08 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.113 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -58.88 -44.74 91.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 60.14 110.886 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.5 -35.72 78.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.21 -27.94 47.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 65.52 45.38 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mt -105.83 151.87 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.42 111.12 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 73.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.953 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG22 HD12 ' A' ' 90' ' ' LEU . 20.1 t -107.27 134.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 72.01 111.132 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.6 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 64.51 110.899 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.625 HG21 ' OD1' ' A' ' 19' ' ' ASN . 58.4 mt -67.97 135.71 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.43 111.15 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.5 151.6 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.912 179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.67 132.21 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 73.32 110.962 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.34 171.97 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.152 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.29 161.55 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 63.1 110.911 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.665 HG23 HG23 ' A' ' 41' ' ' THR . 7.3 tp -54.36 -37.09 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.53 111.155 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.665 HG23 HG23 ' A' ' 40' ' ' ILE . 41.5 p -95.03 28.15 2.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 72.34 111.123 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -119.12 -23.34 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 53' ' ' LEU . 7.0 p -68.7 -23.55 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 52.54 111.132 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -66.82 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 70.44 112.526 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.24 33.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 70.41 112.339 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.826 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.6 m-85 -92.23 37.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.941 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.01 -35.74 11.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 70.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.8 -64.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.75 -42.73 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.145 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -77.42 142.0 39.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.101 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -96.91 -60.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.85 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -102.7 149.72 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.896 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.543 ' H ' HD13 ' A' ' 52' ' ' LEU . 31.7 tp -140.7 138.53 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 75.15 110.905 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.9 t -133.25 125.15 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.21 111.121 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -149.64 162.95 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.45 111.124 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p -111.34 -36.24 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 61.13 111.149 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.97 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 51.01 111.087 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.26 161.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.54 100.59 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 72.55 111.145 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -60.98 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 65.23 110.854 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -111.15 70.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.897 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -150.17 35.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.26 133.52 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.918 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -96.07 37.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.49 157.92 13.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 72.33 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 87.64 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.01 112.375 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.04 147.62 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 63.41 111.172 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -128.55 129.11 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 63.35 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -74.99 140.02 43.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -110.79 35.52 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 63.11 111.055 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -72.56 -37.96 68.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -52.24 -35.77 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.683 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 25.2 m-85 -62.06 -35.9 80.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.88 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.4 -35.07 21.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.929 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 75' ' ' THR . 2.0 t -145.93 107.07 4.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.14 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.8 -39.08 1.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 54.12 112.539 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt 56.21 57.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 71.55 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -144.98 51.68 0.61 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.735 . . . . 73.13 112.517 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.683 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 57.3 mt -51.15 -38.07 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 74.44 111.126 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.86 -36.0 71.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.79 -54.93 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.732 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.1 m -67.41 -46.97 71.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 44.35 111.154 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.726 ' HE3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.73 -34.74 40.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.863 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -61.79 -35.31 77.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -75.42 -52.07 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.44 110.942 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 82' ' ' THR . 2.8 mp -60.89 -47.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.171 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.21 -40.86 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.11 110.874 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.1 m -49.91 -31.01 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 63.1 111.149 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.14 -49.72 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD12 HG22 ' A' ' 33' ' ' VAL . 2.6 mm? -51.5 -45.91 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.957 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.7 -47.33 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.936 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.865 0.364 . . . . 74.13 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -118.22 80.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.39 99.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 61.23 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.637 HG13 ' C ' ' A' ' 52' ' ' LEU . 47.8 t -112.57 130.43 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.01 111.131 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.879 HD13 HG13 ' A' ' 43' ' ' VAL . 4.7 mt -94.71 174.72 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.2 t -149.79 102.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.171 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -133.75 102.64 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.083 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -84.71 -171.79 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.843 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.695 ' HA3' ' HB2' ' A' ' 57' ' ' ALA . . . -129.82 61.05 0.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 64.22 112.511 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.72 135.07 51.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 75.12 111.141 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.26 71.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 40.32 112.472 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -75.17 -37.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 75.31 111.156 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.04 52.87 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.2 111.128 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -99.73 43.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 62.24 111.114 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -77.23 73.23 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.88 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -109.86 -50.59 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.42 111.157 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.76 -45.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 51.31 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.816 HG22 ' HB3' ' A' ' 73' ' ' PHE . 25.6 t -55.63 -64.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.54 111.115 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -53.24 -56.98 12.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.86 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -51.15 -34.03 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 35.15 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.18 -58.03 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 63.35 111.083 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.709 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 49.0 mm -54.96 -53.77 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.03 111.143 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -51.11 -33.21 25.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 54.52 110.903 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -74.38 -35.98 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.849 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 mmt -73.68 -49.01 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.934 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.0 -43.26 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 64.42 111.081 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -57.66 -44.08 85.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 62.25 110.888 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -60.35 -35.72 76.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.851 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -80.22 -26.87 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.892 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 65.91 47.79 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.941 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.28 152.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -73.79 74.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.854 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.6 t -109.16 137.07 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 61.4 111.119 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.3 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.05 138.7 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 63.15 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.782 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -136.68 157.52 46.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.861 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -142.64 108.41 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.884 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.997 HD11 HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -141.13 171.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.12 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 43' ' ' VAL . 32.5 mttp -69.52 150.84 46.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.909 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.614 HD13 ' HB1' ' A' ' 7' ' ' ALA . 39.9 mm -47.36 -54.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.155 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -61.45 -30.24 70.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 73.45 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -11.79 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.997 HG22 HD11 ' A' ' 38' ' ' ILE . 3.1 t -89.86 36.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.109 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.24 -66.79 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.31 112.528 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -18.95 36.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 74.1 112.385 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.757 ' HB3' HD11 ' A' ' 5' ' ' LEU . 35.3 m-85 -92.66 37.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.914 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -93.93 -51.09 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.929 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.49 -48.87 9.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -51.81 -57.56 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.172 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 158.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 41.31 111.109 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.8 -52.14 3.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.807 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.637 ' C ' HG13 ' A' ' 4' ' ' VAL . 26.6 mt -134.67 168.34 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.03 110.885 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 5' ' ' LEU . 25.7 tp -153.37 119.74 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.928 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.1 t -100.2 129.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.44 111.147 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -155.51 159.69 39.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 63.14 111.172 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 70' ' ' ALA . 26.0 p -101.73 -41.03 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.142 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.695 ' HB2' ' HA3' ' A' ' 9' ' ' GLY . . . -52.56 156.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.131 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.83 75.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.51 110.834 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.4 159.96 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 71.25 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -109.95 -36.32 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -52.49 162.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.916 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -91.89 94.54 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 75.51 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.636 ' CD1' HG21 ' A' ' 67' ' ' VAL . 30.0 m-85 -59.4 166.25 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 70.42 110.944 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -108.5 38.77 2.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.955 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.79 159.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 74.35 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.41 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.739 2.292 . . . . 73.45 112.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.636 HG21 ' CD1' ' A' ' 63' ' ' TYR . 90.2 t -51.6 137.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 60.34 111.146 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD13 HG13 ' A' ' 86' ' ' ILE . 10.9 mt -111.51 116.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 61.53 111.098 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -57.41 129.2 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 32.12 110.866 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.851 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.06 35.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 54.54 111.086 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -71.05 -35.41 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -65.63 -20.67 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.04 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.816 ' HB3' HG22 ' A' ' 18' ' ' VAL . 81.0 m-85 -90.1 39.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 64.3 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -134.75 -63.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 62.5 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 t -146.22 33.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.03 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.04 -31.71 2.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 75.14 112.54 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt 53.32 44.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 60.11 111.163 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.25 44.55 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 62.44 112.448 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.585 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 56.0 mt -51.37 -35.13 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 72.42 111.124 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -54.88 -35.65 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.913 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.42 -33.1 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 62.53 110.878 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.675 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.9 m -85.95 -31.6 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 51.43 111.165 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.473 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.36 -52.68 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.875 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -51.62 -42.18 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.871 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -69.07 -52.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.03 111.106 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 91' ' ' GLN . 13.2 tp -50.49 -32.64 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.941 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.6 m -49.82 -31.2 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 71.42 111.143 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.1 -32.62 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.899 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.537 HD13 ' CG2' ' A' ' 86' ' ' ILE . 1.9 tp -49.84 -57.74 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.43 110.93 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.7 pp0? -114.95 32.82 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 63.13 110.966 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 71.1 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 4' ' ' VAL . 12.6 mmmt -118.64 83.41 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.44 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -58.73 112.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 65.44 110.936 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 52' ' ' LEU . 95.3 t -118.87 140.18 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.127 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 46' ' ' TYR . 36.0 mt -97.02 176.26 6.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -150.0 106.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.04 111.149 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.78 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -118.32 79.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -118.87 63.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 73.15 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.22 133.96 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 43.24 112.47 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.26 66.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 64.5 111.108 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.27 -79.44 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 63.42 112.477 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -93.5 92.14 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 74.04 111.116 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.47 153.94 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 55.52 111.113 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -93.88 -35.61 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 p 52.56 36.45 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.824 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -104.33 -35.59 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.05 111.146 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.64 -50.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.11 111.135 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 73' ' ' PHE . 24.1 t -56.27 -61.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 70.52 111.139 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -52.01 -60.11 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -51.72 -34.53 39.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 73.51 110.932 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.584 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -69.84 -56.81 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.081 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 48.8 mm -55.28 -54.86 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 72.11 111.133 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -52.28 -33.6 42.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 63.41 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.95 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 mmt -88.34 -43.63 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 72.01 110.904 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.52 -40.09 58.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.158 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 61.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -78.95 -35.87 42.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -75.09 -29.93 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 65.2 40.45 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 55.25 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.8 mt -96.18 150.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.149 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.78 67.3 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.943 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.73 126.22 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 65.55 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 105.79 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.852 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.472 HD11 HG22 ' A' ' 22' ' ' ILE . 36.6 mt -73.0 143.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.153 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -147.69 134.87 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 71.13 110.896 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.67 131.03 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.669 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.7 177.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.42 111.104 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -79.33 154.23 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.893 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 43' ' ' VAL . 8.3 tp -50.67 -29.83 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 70.44 111.123 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.8 p -86.47 -31.8 21.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -25.66 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.868 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.2 p -64.46 -27.36 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 62.3 111.132 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.59 -68.06 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 65.44 112.458 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -22.39 31.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 72.03 112.316 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.769 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.4 m-85 -92.71 35.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.959 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.64 -42.49 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 74.12 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -72.08 -59.37 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 73.42 111.127 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -65.99 141.31 58.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.07 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -97.27 -48.82 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 65.53 110.825 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.816 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -112.5 139.78 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 55.31 110.877 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.531 ' N ' HD13 ' A' ' 52' ' ' LEU . 26.4 tp -129.66 132.72 46.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.947 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.2 t -128.83 120.81 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.117 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.78 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 2.1 t -150.77 150.57 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.159 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.516 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 36.3 p -81.99 -38.64 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.152 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.9 -175.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 62.14 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 mtm -117.4 -175.42 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 71.33 110.859 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.0 163.14 40.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 53.51 111.112 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -113.79 -36.07 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -52.67 170.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 73.04 110.866 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.29 106.02 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 64.3 110.883 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' HG21 ' A' ' 67' ' ' VAL . 16.8 m-85 -75.82 156.94 33.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.44 110.936 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -115.78 35.84 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 53.14 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.455 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.1 p90 -168.46 158.03 8.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 74.42 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.19 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 53.14 112.38 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 63' ' ' TYR . 44.4 t -61.26 147.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 55.51 111.128 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 52' ' ' LEU . 4.3 mt -130.93 138.51 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.141 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -77.41 141.79 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.931 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 56' ' ' THR . . . -100.93 35.18 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.11 111.115 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -59.62 -48.21 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.891 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -53.0 -28.98 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.827 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.759 ' HB3' HG22 ' A' ' 18' ' ' VAL . 87.5 m-85 -88.59 45.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.881 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 tp -94.22 -34.96 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.911 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -122.23 -34.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.2 111.142 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.96 41.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 43.14 112.49 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.6 mt -146.23 143.93 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 63.22 111.158 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.49 71.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 44.11 112.456 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.709 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 85.6 mt -56.93 -38.82 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 74.41 111.12 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.0 -34.61 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 51.45 110.918 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.12 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.22 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.631 ' O ' HD12 ' A' ' 86' ' ' ILE . 12.6 m -70.25 -43.28 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.21 111.138 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HD3' HD12 ' A' ' 22' ' ' ILE . 44.1 tptt -51.39 -35.3 38.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.89 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.05 -35.82 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -72.08 -49.48 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 72.51 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.724 HG13 HD13 ' A' ' 68' ' ' ILE . 4.4 mp -62.48 -40.89 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 73.22 111.112 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.52 -35.14 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 62.33 110.873 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.05 -30.21 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 64.32 111.121 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.12 -45.45 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 71.24 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.712 HD12 HG22 ' A' ' 86' ' ' ILE . 4.3 mt -51.14 -42.56 60.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 72.15 110.907 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.89 -46.96 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.919 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 70.41 110.917 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 74.24 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' ' 4' ' ' VAL . 7.0 mmmt -127.46 78.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.937 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.64 114.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 61.14 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' LYS . 98.7 t -119.98 125.67 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.158 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.732 HD11 ' HB3' ' A' ' 46' ' ' TYR . 46.8 mt -94.13 168.89 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 50.12 110.912 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.5 t -150.4 82.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.148 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.35 83.19 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 62.44 111.076 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.02 -40.05 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 53.03 110.892 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.57 94.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 54.5 112.444 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.95 143.28 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 74.24 111.131 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.38 -37.76 48.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 53.5 112.482 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.03 -36.32 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 74.32 111.149 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.61 51.76 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.35 111.101 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -111.71 70.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 53.21 111.19 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -97.84 37.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.04 110.845 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -38.01 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 70.01 111.127 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.54 -35.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.071 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' CE2' ' A' ' 73' ' ' PHE . 33.1 t -70.88 -63.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 53.25 111.13 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.483 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.0 t30 -51.61 -43.79 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 61.34 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.14 -29.33 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.38 -40.41 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 34.15 111.121 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.434 HD12 ' HD3' ' A' ' 83' ' ' LYS . 48.4 mm -68.51 -38.03 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.123 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -35.37 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.55 110.857 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.51 -45.28 87.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.448 ' HE2' ' HB3' ' A' ' 25' ' ' MET . 20.2 ptp -76.6 -42.13 43.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 61.24 111.066 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -60.95 -38.73 86.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.946 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.2 -36.53 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 60.13 110.887 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.59 -29.62 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.839 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 65.44 42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.85 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mt -96.04 149.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.3 111.156 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -76.84 62.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.897 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.99 129.86 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 43.43 111.137 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.57 86.89 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.862 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.483 HG21 ' OD1' ' A' ' 19' ' ' ASN . 41.0 mt -61.21 144.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 61.25 111.174 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.79 -177.95 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.844 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -164.2 130.12 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.57 -175.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.22 111.147 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -90.53 158.46 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.877 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 43' ' ' VAL . 10.7 tp -51.95 -28.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.53 111.104 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.5 p -85.29 -31.42 23.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.129 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -71.85 -28.45 63.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 62.41 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.9 p -71.3 -17.4 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.097 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.75 -66.94 1.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 71.21 112.534 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.02 36.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 60.1 112.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.732 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.6 m-85 -92.37 37.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.899 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -93.39 -36.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -80.96 -53.69 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.05 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 p -55.19 -61.21 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.154 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.48 47.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 72.31 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -96.18 -36.94 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.667 HD23 ' CD ' ' A' ' 89' ' ' GLU . 1.1 tm? -131.86 132.17 43.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 74.34 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 52' ' ' LEU . 32.0 tp -130.72 131.93 45.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 41.45 110.9 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.877 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.9 t -123.95 118.05 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 70.21 111.118 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -121.42 137.2 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.179 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -60.81 -42.5 97.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 74.2 111.17 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.69 152.03 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 74.25 111.093 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -72.81 158.61 35.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.928 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -151.2 167.49 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 64.01 111.109 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -139.88 105.46 5.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.41 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.42 168.12 27.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.898 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -79.49 63.99 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -71.54 152.86 42.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.919 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -105.29 37.75 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 72.23 110.893 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.67 157.99 9.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 74.34 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 82.14 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.239 . . . . 44.24 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.477 ' O ' HD13 ' A' ' 68' ' ' ILE . 61.6 t -52.78 143.07 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 61.33 111.087 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 86' ' ' ILE . 26.7 mm -131.0 143.62 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -84.16 138.5 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.877 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -107.09 35.2 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 41.4 111.076 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.92 -35.87 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.874 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -58.6 -35.74 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 65.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.747 ' CE2' HG13 ' A' ' 18' ' ' VAL . 21.6 m-85 -63.07 -35.8 81.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 45.1 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.58 -35.47 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.878 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 75' ' ' THR . 2.2 t -148.84 108.53 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 72.51 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.467 ' C ' HD12 ' A' ' 77' ' ' ILE . . . 145.37 -35.16 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 75.21 112.471 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.467 HD12 ' C ' ' A' ' 76' ' ' GLY . 3.0 mp 51.88 54.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 75.25 111.104 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.36 51.38 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 65.52 112.512 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.625 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 79.6 mt -51.33 -34.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 63.44 111.123 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.31 -35.5 79.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.52 -55.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 75.11 110.863 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -69.29 -51.7 34.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.126 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' HD3' HD12 ' A' ' 22' ' ' ILE . 9.3 tptm -53.06 -32.22 45.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 61.01 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -32.48 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 62.24 110.928 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -91.68 -51.43 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 55.22 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.629 HD11 HG21 ' A' ' 68' ' ' ILE . 3.4 mt -55.18 -34.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 63.3 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 90' ' ' LEU . 28.3 tp -71.27 -23.8 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.902 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.8 m -50.72 -33.21 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.54 111.139 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.667 ' CD ' HD23 ' A' ' 52' ' ' LEU . 5.4 pt-20 -91.78 -32.59 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.914 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.579 ' HB2' HD12 ' A' ' 87' ' ' LEU . 6.3 mp -50.96 -36.18 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 51.33 110.873 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 62.43 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HE3' HD12 ' A' ' 90' ' ' LEU . 1.1 mmmp? -84.33 69.99 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.891 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.34 115.26 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 2' ' ' LYS . 75.0 t -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 71.31 111.119 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.678 HD23 HD12 ' A' ' 38' ' ' ILE . 7.2 mp -115.99 171.63 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -147.06 108.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.119 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.42 75.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 70.23 111.086 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' SG ' HG22 ' A' ' 56' ' ' THR . 95.0 m -92.49 159.26 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 45.41 110.901 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.74 2.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 43.51 112.515 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -172.84 157.02 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 65.22 111.092 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.74 56.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 50.15 112.455 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -118.75 -37.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 72.01 111.108 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -84.72 78.08 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 62.22 111.067 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.7 p -67.36 -176.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 62.23 111.135 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p -94.88 38.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.838 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.535 HG22 ' OD1' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -108.37 -38.75 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 70.14 111.153 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.04 -39.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 73' ' ' PHE . 20.1 t -59.8 -63.99 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.093 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.46 -45.34 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.898 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.535 ' OD1' HG22 ' A' ' 16' ' ' THR . 2.8 m120 -52.4 -28.36 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.873 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.06 -58.17 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.45 111.094 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.548 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 49.5 mm -50.83 -31.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 72.32 111.12 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -38.1 88.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.84 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.1 -30.27 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.477 ' HE3' HD13 ' A' ' 79' ' ' ILE . 40.4 mtt -76.68 -57.66 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.832 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.99 -34.94 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 62.52 111.115 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -65.92 -42.72 89.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.9 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.94 -39.06 90.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.924 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.8 -27.26 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.77 42.63 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.1 149.64 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.143 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -76.11 67.98 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.863 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 2' ' ' LYS . 7.2 p -130.39 127.9 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.119 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -96.12 159.0 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.873 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.66 136.2 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 51.3 111.119 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.69 170.81 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 60.53 110.92 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -157.33 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.678 HD12 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -142.47 178.28 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.35 111.146 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' HB3' HG22 ' A' ' 41' ' ' THR . 4.5 tttp -99.09 163.87 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.922 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.699 ' O ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -52.82 -27.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 64.2 111.102 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 39' ' ' LYS . 10.9 t -82.57 -30.99 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.167 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -95.53 27.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.863 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.5 p -121.82 22.28 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 72.3 111.145 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.3 -68.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 62.22 112.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.77 35.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 62.2 112.346 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.91 38.33 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 64.12 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -93.5 -36.74 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 63.21 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.64 -36.89 4.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.86 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.9 p -51.57 -47.68 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.22 111.167 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 5' ' ' LEU . . . -59.31 120.42 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.42 111.093 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.94 -35.81 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.589 HD11 ' CG1' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -145.49 133.13 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.922 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' A' ' 5' ' ' LEU . 62.5 tp -126.36 133.06 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.94 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.661 HG12 ' HB2' ' A' ' 70' ' ' ALA . 39.4 t -120.43 122.57 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.101 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 t -140.91 161.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.53 111.147 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.405 HG22 ' SG ' ' A' ' 8' ' ' CYS . 1.3 t -120.65 -33.63 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 63.04 111.144 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.94 -169.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mmt -101.38 149.45 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.866 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.68 HG21 ' OH ' ' A' ' 63' ' ' TYR . 3.9 m -161.38 157.05 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 62.41 111.124 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -68.31 -174.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -103.32 69.57 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.933 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -136.05 46.67 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 73.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.68 ' OH ' HG21 ' A' ' 59' ' ' THR . 18.4 m-85 -111.06 131.72 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.926 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -95.36 36.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -162.65 157.92 19.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 72.43 110.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 72.44 112.346 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.646 HG21 ' CD1' ' A' ' 63' ' ' TYR . 79.7 t -51.75 144.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 42.3 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.715 HG21 HD11 ' A' ' 86' ' ' ILE . 45.3 mm -115.0 126.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 63.51 111.091 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -66.06 134.33 52.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.899 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 73' ' ' PHE . . . -116.12 35.64 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 71.24 111.09 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -54.18 -35.95 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.859 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -73.69 -34.89 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 42.15 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 48.0 m-85 -64.21 -30.51 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 64.12 110.884 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -34.83 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.24 110.896 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.0 t -102.05 -33.5 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 73.51 111.185 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.52 ' O ' HD13 ' A' ' 77' ' ' ILE . . . 99.1 31.99 6.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 70.43 112.487 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.52 HD13 ' O ' ' A' ' 76' ' ' GLY . 23.9 mm -141.48 145.2 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 75.11 111.131 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.96 43.3 49.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 65.24 112.489 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.691 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 74.2 mt -74.88 -47.8 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 52.22 111.128 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -52.02 -35.89 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 75.05 110.912 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.64 -37.74 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.908 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.719 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.4 m -87.98 -37.68 16.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 64.24 111.115 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -51.54 -32.24 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 50.5 110.923 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -57.63 -34.21 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 65.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -81.64 -51.81 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.862 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 82' ' ' THR . 3.4 mp -57.3 -52.16 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.127 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.18 -32.4 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 70.22 110.933 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -49.91 -30.93 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.45 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.54 -31.89 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 75.35 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD12 ' HE3' ' A' ' 2' ' ' LYS . 8.0 tp -50.55 -45.06 56.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 64.24 110.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.75 -35.14 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.947 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 64.14 110.893 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 72.41 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HE2' HD23 ' A' ' 90' ' ' LEU . 3.7 mmmm -117.89 115.36 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -97.0 104.69 16.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.703 HG22 ' HB2' ' A' ' 52' ' ' LEU . 21.8 t -108.52 120.7 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 61.43 111.093 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 46' ' ' TYR . 11.0 mp -87.03 172.65 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.899 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.25 109.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 74.23 111.08 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.72 109.22 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.45 111.1 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.4 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 73.42 110.903 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.906 0.384 . . . . 62.0 110.841 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -88.13 -58.01 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.01 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.48 -48.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 73' ' ' PHE . 24.9 t -55.28 -61.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.17 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.03 -58.43 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -51.32 -32.59 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.729 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -74.8 -61.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.53 111.085 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.649 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 49.4 mm -51.38 -53.72 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 60.14 111.115 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -51.13 -33.03 24.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.864 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -73.1 -37.0 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.928 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 mmt -74.34 -49.6 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 64.51 110.828 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.35 -37.92 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 74.51 111.079 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -49.71 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 71.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.09 -36.79 71.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -77.98 -26.4 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.851 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.42 46.61 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.32 110.914 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.39 149.23 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.22 111.117 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -75.52 70.51 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.931 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 p -124.07 143.77 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 73.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -129.03 121.44 27.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 63.13 110.855 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.6 mt -79.75 143.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 64.14 111.15 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -126.71 141.74 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.931 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -121.31 122.6 40.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.915 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.574 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.01 172.2 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 73.52 111.155 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -82.85 162.43 21.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.52 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.662 HG23 HG23 ' A' ' 41' ' ' THR . 6.2 tp -54.65 -37.21 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.147 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.662 HG23 HG23 ' A' ' 40' ' ' ILE . 33.7 p -94.55 28.33 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 64.3 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -119.77 -20.94 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 54.32 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 53' ' ' LEU . 6.6 p -66.91 -25.24 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 62.45 111.159 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.67 -67.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 74.22 112.51 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -22.25 32.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 65.34 112.354 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.476 ' HB3' HD21 ' A' ' 5' ' ' LEU . 15.5 m-85 -92.29 37.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.918 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -96.85 -35.49 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.42 110.853 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -76.59 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.31 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.71 -43.44 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.171 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -68.71 167.29 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 65.54 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.498 ' C ' HD22 ' A' ' 52' ' ' LEU . 8.5 t0 -120.37 -51.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.703 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.6 mm? -121.05 152.32 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 62.13 110.943 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 43' ' ' VAL . 27.7 tp -137.62 143.83 41.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.923 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 68' ' ' ILE . 43.8 t -136.98 127.01 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.35 111.115 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -144.17 152.13 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 52.25 111.17 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 70' ' ' ALA . 30.4 p -80.12 -41.2 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.142 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.097 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.905 0.384 . . . . 72.14 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -111.6 37.31 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.917 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.65 158.04 16.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 74.44 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 75.12 112.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.04 144.06 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 64.03 111.13 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' ' 54' ' ' VAL . 39.3 mm -122.41 114.29 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 74.13 111.179 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -51.98 141.81 17.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 51.1 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.654 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -95.05 35.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 111.091 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -72.83 -34.53 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 71.5 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.91 -30.53 71.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.887 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.705 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 61.0 m-85 -89.45 45.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.865 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.907 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.439 -0.264 . . . . 71.22 112.439 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.729 HD13 ' HB1' ' A' ' 21' ' ' ALA . 49.3 mt -75.64 -47.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 61.11 111.161 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -51.55 -35.57 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -55.98 -68.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.852 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.605 HG22 ' CD1' ' A' ' 86' ' ' ILE . 3.8 m -61.94 -39.06 90.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 50.12 111.131 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -51.2 -38.46 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.906 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.92 -35.3 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 62.03 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -71.92 -52.12 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.952 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.605 ' CD1' HG22 ' A' ' 82' ' ' THR . 3.8 mt -64.35 -35.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 53.14 111.126 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.4 tp -68.47 -27.77 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.9 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.7 m -51.01 -34.13 27.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 74.34 111.129 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.653 ' OE1' HD21 ' A' ' 52' ' ' LEU . 11.2 pt-20 -95.24 -36.87 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 87' ' ' LEU . 60.2 mt -53.11 -52.51 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.32 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.53 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.8 pp0? -116.32 33.8 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 60.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 51.3 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.536 ' HG3' HD13 ' A' ' 90' ' ' LEU . 21.6 mmmt -100.47 166.68 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.899 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -142.54 108.55 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 70.14 110.935 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.485 HG21 HD21 ' A' ' 90' ' ' LEU . 88.1 t -114.2 102.68 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 50.33 111.17 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.569 HD13 ' CB ' ' A' ' 50' ' ' ALA . 10.9 mp -76.65 173.94 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 55.31 110.908 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.26 109.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 60.14 111.155 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.565 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -116.63 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 70.32 111.072 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.01 110.87 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.923 0.392 . . . . 61.23 110.841 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.67 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -99.45 -42.69 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 70.43 111.174 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.85 -46.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.41 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.557 HG22 ' HB3' ' A' ' 73' ' ' PHE . 27.8 t -55.8 -66.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.117 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -51.76 -53.52 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.67 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.7 m-80 -53.36 -34.72 58.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.876 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -46.46 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.52 111.1 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.589 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 48.6 mm -63.51 -52.99 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 54.42 111.182 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -51.42 -34.75 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.937 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -64.16 -36.08 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.3 mmt -82.58 -46.35 13.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.53 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.18 -37.27 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 62.44 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -61.3 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 54.24 110.865 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.37 -38.49 68.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 64.43 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -80.38 -28.57 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.874 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.16 45.2 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 64.13 110.838 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mt -96.35 149.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 63.12 111.108 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -75.94 66.86 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 73.23 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' ' 90' ' ' LEU . 9.8 p -113.25 140.93 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 72.15 111.153 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.35 98.06 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.859 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.5 124.29 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 54.22 111.145 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -122.62 154.72 37.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.91 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -142.57 123.77 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 62.11 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.13 177.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.51 111.147 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -84.51 157.97 21.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.867 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.569 ' O ' HG12 ' A' ' 43' ' ' VAL . 39.9 mm -51.15 -30.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.129 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -84.86 -31.92 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.33 111.173 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.93 -30.52 66.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 62.44 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.645 HG21 HD22 ' A' ' 53' ' ' LEU . 8.6 p -72.21 -16.03 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.173 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.01 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 53.41 112.521 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -17.31 37.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 70.33 112.312 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 18.2 m-85 -93.25 37.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.884 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -91.86 -37.44 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.862 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.0 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 63.3 110.815 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -51.62 -60.27 3.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.12 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.569 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -58.11 127.62 33.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 63.31 111.12 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -64.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.51 ' CD1' HG23 ' A' ' 86' ' ' ILE . 6.3 mt -109.97 168.07 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 65.21 110.974 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 43' ' ' VAL . 39.2 tp -152.06 146.3 25.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.899 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 68' ' ' ILE . 17.3 t -132.45 127.28 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 164.71 27.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.24 111.174 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.638 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 8.8 p -134.4 34.65 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.126 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.0 111.104 179.805 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.527 ' CD1' HG21 ' A' ' 67' ' ' VAL . 46.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.944 0.402 . . . . 73.34 110.949 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -118.33 33.65 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.52 110.939 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.07 160.32 16.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 75.24 110.923 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HG2' HD21 ' A' ' 52' ' ' LEU . 53.9 Cg_endo -69.74 80.51 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.719 2.279 . . . . 72.13 112.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 63' ' ' TYR . 68.8 t -64.85 145.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 55.13 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.646 HG21 HG23 ' A' ' 82' ' ' THR . 4.8 mp -116.57 139.35 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.127 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -80.6 126.39 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.638 ' HB3' ' CG2' ' A' ' 56' ' ' THR . . . -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.31 111.114 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -66.0 -35.78 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.909 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -59.0 -39.32 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HZ ' HD11 ' A' ' 22' ' ' ILE . 80.6 m-85 -55.58 -35.76 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tp . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 70.53 110.894 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.516 -0.233 . . . . 71.25 112.516 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.2 mt -56.4 -34.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 61.23 111.104 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.3 -36.5 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 54.25 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.19 -38.86 56.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 73.11 110.904 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.646 HG23 HG21 ' A' ' 68' ' ' ILE . 90.8 m -67.75 -57.87 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 52.5 111.137 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.587 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.6 tptt -51.69 -35.48 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 45.11 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.97 -34.3 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.951 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -80.54 -45.61 17.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.706 ' CG2' HD23 ' A' ' 90' ' ' LEU . 3.7 mt -59.91 -54.24 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.55 111.091 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.78 -29.98 21.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.952 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 m -49.53 -30.5 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.151 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' CD ' HD11 ' A' ' 52' ' ' LEU . 10.2 pt-20 -119.88 -29.63 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 71.31 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.706 HD23 ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -48.88 -45.69 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.906 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -116.59 -41.85 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.855 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 54.21 110.857 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.341 . . . . 74.41 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 4' ' ' VAL . 28.3 mmmt -120.05 67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -54.87 108.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 2' ' ' LYS . 95.3 t -110.97 134.29 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.3 111.137 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 46' ' ' TYR . 47.3 mt -97.19 169.22 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.922 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -150.54 85.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.04 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.536 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -106.85 114.39 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.085 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.892 -179.898 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.4 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.952 0.406 . . . . 70.21 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.463 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -136.62 -46.64 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.175 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.6 t -51.75 -45.17 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.177 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 73' ' ' PHE . 36.9 t -56.16 -68.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.153 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.5 ' OD1' HG21 ' A' ' 35' ' ' ILE . 7.7 t30 -51.47 -44.28 62.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.1 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.463 ' ND2' HG22 ' A' ' 16' ' ' THR . 1.8 m-80 -56.02 -29.83 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 64.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.85 -52.57 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.52 111.086 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.484 HG23 ' CE ' ' A' ' 25' ' ' MET . 43.2 mm -57.5 -33.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.125 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -73.2 -24.75 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.884 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.47 -38.74 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 72.51 110.85 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.39 -37.05 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.823 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.38 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.42 111.071 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.48 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 70.04 110.928 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -72.56 -35.82 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 63.52 110.878 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.18 -27.87 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.788 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.93 45.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.888 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 32' ' ' LYS . 20.3 mt -99.64 157.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.53 111.137 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 31' ' ' ILE . 3.9 pttt -76.71 60.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.907 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.62 133.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.124 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.1 94.48 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.846 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.5 HG21 ' OD1' ' A' ' 19' ' ' ASN . 61.7 mt -60.56 138.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 72.51 111.085 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -148.96 143.21 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.14 110.905 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -126.09 126.19 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 72.2 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.877 HD11 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -142.72 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 53.02 111.114 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -74.71 156.61 36.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.902 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.536 HD13 ' HB1' ' A' ' 7' ' ' ALA . 34.8 mm -49.23 -34.3 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.4 111.164 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -69.6 -38.1 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.175 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.11 -29.12 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.877 HG22 HD11 ' A' ' 38' ' ' ILE . 88.7 t -64.6 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.103 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 51.55 112.497 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.41 30.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 65.31 112.375 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.803 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.5 m-85 -93.05 34.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 52.23 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.46 -38.05 13.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 52.03 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.33 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 74.35 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -52.05 -51.13 59.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 61.14 111.136 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.46 134.41 53.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.2 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.98 -62.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.56 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -107.79 147.65 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.922 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.56 ' H ' HD13 ' A' ' 52' ' ' LEU . 27.0 tp -140.19 132.82 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.925 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.613 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.7 t -119.76 114.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 62.21 111.101 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 t -128.46 144.93 51.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 53.13 111.141 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 70' ' ' ALA . 38.6 p -78.11 -35.75 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.151 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 61.31 111.092 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CD1' HG21 ' A' ' 67' ' ' VAL . 60.8 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.954 0.407 . . . . 62.42 110.913 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -98.57 38.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.892 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.28 158.14 6.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 62.12 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 73.25 112.37 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.506 HG21 ' CD1' ' A' ' 63' ' ' TYR . 53.2 t -57.08 145.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.117 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.21 115.65 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.121 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -52.05 138.03 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.896 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.673 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -94.78 35.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 41.31 111.09 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -71.95 -36.99 70.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 62.53 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.44 -33.47 71.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.905 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.752 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 52.1 m-85 -90.61 45.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 74' ' ' LEU . 10.3 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.871 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.476 -0.25 . . . . 43.33 112.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.752 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 85.7 mt -105.33 -41.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 52.41 111.185 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -51.6 -33.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.99 -63.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.532 HG22 ' CD1' ' A' ' 86' ' ' ILE . 27.9 m -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 70.53 111.144 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.948 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.07 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -68.09 -49.07 63.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.532 ' CD1' HG22 ' A' ' 82' ' ' THR . 3.8 mt -68.67 -48.5 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 53.43 111.091 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.88 -32.07 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.5 m -49.52 -31.54 10.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.147 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.36 -31.61 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.835 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.21 -44.44 53.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 55.52 110.935 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -122.27 -35.0 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.35 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.21 110.91 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.855 0.359 . . . . 71.21 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -104.16 87.47 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.904 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.45 127.76 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 64.44 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' ' 52' ' ' LEU . 61.8 t -137.02 139.17 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 50.21 111.154 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 46' ' ' TYR . 41.9 mt -95.62 174.28 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.953 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.9 109.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.02 111.16 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.88 -179.86 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 61.54 111.065 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.892 -179.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.927 0.394 . . . . 55.43 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.51 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -126.4 -42.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.43 111.156 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.4 -42.37 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.138 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 73' ' ' PHE . 20.7 t -60.07 -59.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.665 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.5 t30 -57.48 -44.01 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.1 m-80 -58.61 -31.91 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.51 110.891 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -55.66 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.081 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.64 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 49.3 mm -55.79 -49.16 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 42.03 111.127 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -51.08 -33.03 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.07 -39.55 55.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 65.44 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmt -68.59 -47.91 65.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.16 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.072 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -64.08 -37.52 87.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 44.54 110.941 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.68 -35.55 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 62.35 110.871 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.63 -30.06 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 63.1 110.854 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 65.14 43.31 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -96.91 150.44 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.109 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -76.06 67.36 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 64.42 110.861 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.47 143.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 64.52 111.139 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -120.52 126.34 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.896 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.665 HG21 ' OD1' ' A' ' 19' ' ' ASN . 61.6 mt -91.35 145.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.127 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB3' HD23 ' A' ' 5' ' ' LEU . 3.1 mttp -140.61 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.926 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -113.17 128.61 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.2 173.09 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.163 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -83.06 162.01 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 42.22 110.877 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 tp -54.02 -37.91 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -95.16 29.6 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 75.33 111.164 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -120.28 -21.56 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 HD22 ' A' ' 53' ' ' LEU . 6.4 p -68.02 -24.03 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 71.42 111.148 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -67.35 1.37 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 71.14 112.471 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -21.46 33.86 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 65.51 112.351 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.74 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.0 m-85 -92.1 38.07 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 51.13 110.923 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -95.41 -35.45 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.863 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -75.43 -65.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.44 -43.29 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 65.43 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -76.25 147.27 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.45 111.118 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.03 -58.75 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.906 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.676 HD11 ' OE2' ' A' ' 89' ' ' GLU . 4.6 mm? -106.23 156.07 18.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 62.14 110.879 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 43' ' ' VAL . 21.7 tp -143.11 135.58 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.923 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 70' ' ' ALA . 25.1 t -120.09 127.28 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.22 111.118 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -156.39 141.37 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 55.41 111.161 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.51 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 20.3 p -93.94 40.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 51.22 111.139 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 51.11 111.056 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CD1' HG21 ' A' ' 67' ' ' VAL . 42.7 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.972 0.415 . . . . 75.34 110.892 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -104.68 35.79 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 64.54 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.15 157.82 11.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 72.32 110.863 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 65.35 112.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 63' ' ' TYR . 44.6 t -51.85 147.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 75.32 111.162 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.474 HG21 HD11 ' A' ' 86' ' ' ILE . 48.3 mm -125.85 143.68 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.24 111.138 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -92.89 134.19 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.933 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 73' ' ' PHE . . . -102.08 35.24 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.24 111.089 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -56.52 -35.67 68.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.869 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -74.31 -33.88 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.723 ' HB3' HG22 ' A' ' 18' ' ' VAL . 46.5 m-85 -63.23 -28.0 69.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.45 110.918 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 74.55 110.929 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.445 -0.262 . . . . 74.32 112.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.487 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 7.0 mt -125.89 27.43 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 71.35 111.173 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -123.19 -35.77 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.09 -34.01 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -88.83 -43.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.113 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.579 ' HD3' HD12 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -51.16 -48.81 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.22 110.859 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -51.8 -45.58 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 60.02 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.61 -47.64 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -72.11 -52.8 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 55.13 111.13 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 91' ' ' GLN . 32.4 tp -51.37 -27.27 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.01 110.895 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.6 m -48.51 -34.61 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.152 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.676 ' OE2' HD11 ' A' ' 52' ' ' LEU . 7.0 pt-20 -100.37 -34.37 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HB2' HD12 ' A' ' 87' ' ' LEU . 69.8 mt -51.88 -47.71 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.866 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.502 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.9 pp0? -121.6 33.29 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.919 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 70.34 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -134.17 117.3 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -98.07 116.53 30.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.9 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 52' ' ' LEU . 48.6 t -131.31 121.3 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.31 111.079 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.579 ' HB2' HD13 ' A' ' 53' ' ' LEU . 4.5 mp -91.25 -176.78 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 34.31 110.918 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.8 t -150.16 109.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.115 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.95 115.06 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 44.4 111.089 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 54.35 110.889 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.908 0.385 . . . . 71.54 110.831 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 -55.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.31 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -54.6 -58.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 72.25 111.106 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.791 HG13 ' CE2' ' A' ' 73' ' ' PHE . 64.5 t -51.71 -60.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.51 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.436 HD22 HG21 ' A' ' 35' ' ' ILE . 1.8 t-20 -51.03 -57.18 9.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 60.3 110.866 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.35 -34.25 33.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.16 63.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 23.24 111.092 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.625 HG23 ' HE3' ' A' ' 83' ' ' LYS . 47.9 mm -67.74 -52.67 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.3 111.15 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -51.31 -34.95 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.924 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -72.26 -43.44 64.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.5 mtt -65.94 -50.45 64.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.34 39.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 55.22 111.134 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -63.85 -43.68 95.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -59.24 -35.95 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -82.88 -29.69 29.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 65.21 45.45 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 71.2 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 mt -96.98 150.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.111 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.42 66.41 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 51.43 110.915 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.76 135.36 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.166 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -99.38 -178.29 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 43.21 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 HD22 ' A' ' 19' ' ' ASN . 38.5 mt -144.75 111.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 55.25 111.151 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -99.98 152.2 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.885 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.86 107.65 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 43.52 110.894 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -142.35 174.35 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 65.13 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 163.44 13.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 73.54 110.929 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.719 ' O ' HG12 ' A' ' 43' ' ' VAL . 7.7 tp -52.94 -29.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.52 111.127 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.9 -27.42 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.174 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.04 26.83 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 52.03 110.882 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.4 p -120.88 22.51 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.132 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.6 -67.2 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 65.42 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.64 35.84 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.266 . . . . 64.31 112.33 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HB3' HD21 ' A' ' 5' ' ' LEU . 35.3 m-85 -92.9 37.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.915 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.44 -47.47 3.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 75.14 110.844 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.13 -41.0 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 65.05 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -54.34 -57.42 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.116 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HB2' HD11 ' A' ' 5' ' ' LEU . . . -56.8 179.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 74.25 111.08 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.736 ' O ' HD22 ' A' ' 52' ' ' LEU . 11.4 m-20 -116.52 -41.39 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.882 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.736 HD22 ' O ' ' A' ' 51' ' ' ASP . 3.4 mm? -135.47 169.06 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 43.42 110.902 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 5' ' ' LEU . 29.4 tp -157.01 115.9 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 63.22 110.897 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.91 121.22 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.179 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -146.27 156.82 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.124 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.412 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 1.7 t -116.61 -33.05 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.121 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 65.34 111.115 179.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.413 ' CD1' HG21 ' A' ' 67' ' ' VAL . 40.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.935 0.398 . . . . 72.34 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -98.86 36.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 75.24 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HE2' HG22 ' A' ' 67' ' ' VAL . 1.2 p90 -164.41 157.92 15.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 74.44 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HG2' HD11 ' A' ' 52' ' ' LEU . 54.1 Cg_endo -69.78 79.92 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 73.41 112.357 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 63' ' ' TYR . 48.0 t -51.6 146.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 62.21 111.118 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.507 HG21 HD11 ' A' ' 86' ' ' ILE . 26.5 mm -119.27 105.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 70.41 111.159 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -55.69 126.13 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 64.24 110.931 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' A' ' 56' ' ' THR . . . -99.32 37.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -62.28 -38.29 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.15 -37.99 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.791 ' CE2' HG13 ' A' ' 18' ' ' VAL . 72.0 m-85 -60.4 -35.97 77.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.901 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.904 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.518 -0.233 . . . . 74.42 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.96 -35.06 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 63.34 111.131 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.83 -35.74 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -79.41 -41.99 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.919 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.5 m -61.42 -51.53 68.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.122 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.625 ' HE3' HG23 ' A' ' 22' ' ' ILE . 8.6 tptm -51.81 -34.91 42.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.888 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -34.26 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.928 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.98 -49.84 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 82' ' ' THR . 3.0 mp -65.32 -45.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.13 111.122 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' A' ' 91' ' ' GLN . 11.8 tp -56.99 -21.28 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 72.5 110.918 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.2 m -61.98 -16.05 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.15 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.05 -33.99 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.3 110.906 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.628 ' HG ' HG22 ' A' ' 86' ' ' ILE . 59.7 mt -49.96 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.503 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.8 pp0? -93.28 33.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.92 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.882 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 72.22 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -109.39 87.31 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.72 104.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 52' ' ' LEU . 57.3 t -115.04 112.47 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 71.53 111.183 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 50' ' ' ALA . 11.1 mp -82.36 173.74 11.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.883 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.7 t -149.33 115.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 75.34 111.165 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 40' ' ' ILE . . . -136.05 78.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.098 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.871 -179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.989 0.424 . . . . 71.44 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.594 HG22 ' OD1' ' A' ' 20' ' ' ASN . 5.8 m -122.21 -64.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 74.32 111.085 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -50.38 -41.77 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.778 HG22 ' HB3' ' A' ' 73' ' ' PHE . 21.8 t -58.85 -55.37 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 70.23 111.154 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.61 -55.36 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.594 ' OD1' HG22 ' A' ' 16' ' ' THR . 5.7 m120 -52.17 -29.27 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 73.44 110.845 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -81.37 -61.11 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 60.22 111.099 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.611 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 47.6 mm -52.48 -49.07 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.156 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -50.8 -33.16 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.67 -37.24 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 73.12 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -70.75 -54.17 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 65.11 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.5 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.43 111.062 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.49 -44.72 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.893 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.24 -35.67 67.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 60.11 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.56 -28.0 25.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 65.63 49.73 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 63.55 110.827 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 32' ' ' LYS . 17.0 mt -103.82 158.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.52 111.105 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.78 75.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 45.45 110.882 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.52 129.18 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.139 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -114.23 76.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.855 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 22' ' ' ILE . 83.9 mt -51.81 142.59 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.139 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.18 146.2 29.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 75.12 110.921 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.33 127.9 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 60.45 110.912 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -145.0 -176.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.145 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -79.22 153.57 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.24 110.911 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.6 tp -50.01 -30.56 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.129 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.2 p -86.63 -32.57 20.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.03 111.095 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -56.79 -27.09 59.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 73.52 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.5 p -64.46 -27.47 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 44.14 111.145 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.57 -68.15 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 53.53 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -22.86 31.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 74.12 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.437 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 16.9 m-85 -92.95 35.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.879 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.18 -40.69 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 53.42 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.98 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.845 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -51.82 -46.65 64.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 64.41 111.161 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.496 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -74.13 148.81 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.118 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -103.75 -58.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 70.35 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.646 ' HB2' HG22 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -103.16 157.93 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.916 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 43' ' ' VAL . 25.8 tp -152.77 134.35 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 43.51 110.888 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.9 t -121.28 119.77 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 31.41 111.13 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -147.42 131.0 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.2 111.151 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 ' C ' ' A' ' 70' ' ' ALA . 20.3 p -70.82 -42.63 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 64.52 111.16 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 53.22 111.084 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CD1' HG21 ' A' ' 67' ' ' VAL . 18.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.967 0.413 . . . . 75.11 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -103.62 35.89 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -172.49 158.26 3.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 62.13 110.859 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.276 . . . . 73.3 112.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.597 HG21 ' CD1' ' A' ' 63' ' ' TYR . 48.2 t -67.0 146.69 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.125 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.69 HD13 ' CG1' ' A' ' 86' ' ' ILE . 5.0 mt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -76.79 140.54 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 63.11 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -105.83 35.19 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -58.29 -35.78 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 54.22 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -67.26 -17.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 61.34 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.778 ' HB3' HG22 ' A' ' 18' ' ' VAL . 80.6 m-85 -91.14 37.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.3 110.888 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 74.01 110.888 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.491 -0.243 . . . . 75.44 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.722 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 98.8 mt -68.89 -35.47 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 72.54 111.128 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.12 -35.54 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.33 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -51.67 -36.12 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.649 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.9 m -99.54 -35.15 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 62.12 111.163 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HE3' HG23 ' A' ' 22' ' ' ILE . 6.5 tptm -51.71 -35.92 44.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 63.43 110.919 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -59.87 -46.0 90.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -56.19 -51.54 67.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.789 HG22 HD13 ' A' ' 90' ' ' LEU . 2.8 mp -64.92 -50.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.33 111.154 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -52.35 -41.7 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.897 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.0 m -54.53 -25.92 28.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.137 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -99.5 -38.41 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 HG22 ' A' ' 86' ' ' ILE . 2.3 mp -51.03 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.932 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -36.93 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.916 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.92 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.836 0.35 . . . . 65.12 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 4' ' ' VAL . 28.1 mmmt -122.43 81.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 42.31 110.887 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -61.51 101.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 2' ' ' LYS . 23.1 t -109.32 141.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 62.34 111.106 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' A' ' 46' ' ' TYR . 47.2 mt -95.04 174.36 7.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.885 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -150.12 89.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 111.155 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.68 106.66 15.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 43.23 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.932 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.902 0.382 . . . . 51.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.516 HG22 ' ND2' ' A' ' 20' ' ' ASN . 2.6 m -101.48 -41.07 6.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 35.22 111.176 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.1 t -52.38 -55.58 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.135 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.796 HG13 ' CE2' ' A' ' 73' ' ' PHE . 90.1 t -51.66 -62.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 54.4 111.168 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.29 -53.88 25.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.4 m-80 -56.43 -26.36 53.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.894 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.44 -34.35 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.063 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.496 HD12 ' HZ2' ' A' ' 83' ' ' LYS . 46.4 mm -76.48 -40.23 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.142 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.905 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.17 -34.95 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.8 -53.61 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.911 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.63 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.35 111.105 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -43.61 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 54.14 110.885 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.25 -35.71 74.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.57 -29.83 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.84 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 65.22 46.23 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.879 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.62 151.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 65.34 111.111 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.02 67.19 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.929 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.71 136.86 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 44.22 111.124 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.43 121.89 46.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.9 mt -83.1 145.97 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.22 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.57 ' HB3' HD23 ' A' ' 5' ' ' LEU . 4.9 mttp -147.24 134.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.41 110.912 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -119.16 130.61 55.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.57 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.25 178.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.123 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 164.45 15.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.885 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 41' ' ' THR . 6.3 tp -55.55 -32.45 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.126 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 HG23 ' A' ' 40' ' ' ILE . 58.8 p -95.01 28.34 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.173 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.97 -28.36 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.569 HG23 HD12 ' A' ' 5' ' ' LEU . 8.0 p -67.02 -25.18 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 75.21 111.158 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.42 1.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 51.23 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.4 33.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 64.04 112.323 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.739 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.2 m-85 -92.05 37.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 72.13 110.935 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.15 -36.15 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.24 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.11 -52.65 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.848 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -62.83 -50.65 70.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.155 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -68.04 128.76 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 43.43 111.069 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.33 -64.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 64.41 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.3 mm? -103.03 170.71 7.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.923 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.549 ' CD2' HG21 ' A' ' 43' ' ' VAL . 38.5 tp -154.29 123.47 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 64.22 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.8 t -118.11 110.26 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.123 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -134.0 146.19 50.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 73.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.0 p -57.61 -47.84 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.32 111.165 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.087 179.879 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.518 ' CD1' HG21 ' A' ' 67' ' ' VAL . 6.4 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.967 0.413 . . . . 73.54 110.925 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -111.46 37.15 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.914 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 158.3 4.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 63.15 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.62 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 74.52 112.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 63' ' ' TYR . 76.3 t -69.36 144.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.43 111.124 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.13 112.94 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.14 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -51.92 132.49 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.915 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.05 35.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 53.42 111.088 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -74.55 -35.2 63.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.854 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -55.17 -34.53 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.904 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.796 ' CE2' HG13 ' A' ' 18' ' ' VAL . 67.2 m-85 -63.32 -20.24 65.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 51.41 110.919 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.445 -0.262 . . . . 73.51 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.8 mt -80.17 -34.05 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 50.51 111.139 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.9 -34.97 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 43.35 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -94.29 -51.6 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 61.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -51.33 -47.89 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 72.11 111.164 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HZ2' HD12 ' A' ' 22' ' ' ILE . 15.1 tptt -52.08 -34.03 41.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 54.21 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -59.29 -35.37 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -66.87 -48.75 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.73 -48.5 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 65.32 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.42 -32.53 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 63.15 110.896 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.516 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 96.5 m -49.61 -31.23 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 44.23 111.136 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -113.83 -31.38 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.844 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 tp -50.32 -44.52 54.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.914 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.96 -35.71 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 70.5 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.516 ' NZ ' HG23 ' A' ' 88' ' ' THR . 16.3 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.922 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 74.41 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HB3' HD22 ' A' ' 90' ' ' LEU . 27.3 mmmt -88.26 102.84 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.942 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -80.14 110.4 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 52' ' ' LEU . 88.1 t -122.25 132.26 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.13 111.131 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 38' ' ' ILE . 4.9 mp -114.4 176.88 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 52.23 110.912 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -148.46 104.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 54.5 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.39 99.64 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.125 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 62.03 110.848 -179.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.916 0.388 . . . . 73.44 110.823 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.55 -58.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.148 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.36 -43.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 61.02 111.169 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 73' ' ' PHE . 41.5 t -58.68 -66.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.41 111.14 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.613 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.8 t30 -51.3 -45.12 62.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.855 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.37 -35.02 76.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -44.24 49.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 70.11 111.097 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.705 HD12 ' HD3' ' A' ' 83' ' ' LYS . 50.8 mm -66.91 -52.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.07 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.42 -33.8 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.97 -36.2 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.05 110.86 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.87 -51.91 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -38.91 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.066 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -61.26 -48.02 83.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.24 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.19 -36.13 51.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.874 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -84.38 -25.14 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 66.08 51.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 70.15 110.889 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mt -112.77 148.35 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 54.32 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -73.67 74.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.879 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.8 t -107.28 119.52 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.24 111.146 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -89.56 107.57 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.613 HG21 ' OD1' ' A' ' 19' ' ' ASN . 80.8 mt -89.35 124.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.151 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -125.12 163.21 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.928 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -146.07 106.45 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 62.24 110.931 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.696 HD12 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -141.96 175.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 72.55 111.101 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -97.45 163.69 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.865 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.73 ' O ' HG12 ' A' ' 43' ' ' VAL . 3.0 mp -53.5 -29.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.33 111.108 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -78.54 -28.7 46.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -101.38 28.62 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 70.33 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.0 p -118.28 21.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 63.21 111.152 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.2 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 73.32 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.66 35.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 62.51 112.334 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -93.42 36.75 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.909 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.04 -48.68 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 62.55 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.07 -35.86 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.6 p -62.41 -50.8 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 64.41 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HB2' ' CD1' ' A' ' 5' ' ' LEU . . . -51.46 169.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.63 -35.85 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.603 ' O ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -150.9 132.31 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 62.15 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 54' ' ' VAL . 28.9 tp -112.53 146.02 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 65.14 110.94 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.497 ' H ' HD12 ' A' ' 53' ' ' LEU . 95.3 t -126.49 105.89 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.13 111.126 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 t -128.94 154.65 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.146 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -102.26 -36.13 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 31.15 111.099 179.872 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.647 ' CD1' HG21 ' A' ' 67' ' ' VAL . 20.8 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.926 0.393 . . . . 72.15 110.918 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -95.83 35.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.94 158.28 21.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.21 110.881 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 80.84 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 63.45 112.331 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 63' ' ' TYR . 96.3 t -51.67 144.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 31.32 111.125 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.869 HG21 HD11 ' A' ' 86' ' ' ILE . 44.7 mm -120.31 111.94 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 63.42 111.139 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.83 128.81 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -106.31 35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.53 111.078 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.842 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -57.85 -41.11 81.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 60.5 m-85 -54.49 -35.11 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.92 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.912 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.48 -0.248 . . . . 75.54 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.2 mt -57.27 -35.03 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.45 111.112 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -53.3 -34.9 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.894 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.81 -50.9 18.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 61.13 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -61.97 -59.42 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.144 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.705 ' HD3' HD12 ' A' ' 22' ' ' ILE . 7.0 mmmt -51.84 -34.21 39.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.89 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.42 -35.37 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.34 -51.61 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.869 HD11 HG21 ' A' ' 68' ' ' ILE . 2.7 mp -56.11 -37.27 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.136 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.98 -32.72 71.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.9 m -61.69 -26.04 67.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.164 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.45 -35.34 8.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.858 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 2' ' ' LYS . 13.6 mt -50.66 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 60.42 110.959 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -37.02 34.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 72.22 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 4' ' ' VAL . 13.9 mmmt -98.9 77.5 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 70.51 110.886 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -51.87 110.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 64.21 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 52' ' ' LEU . 75.6 t -117.94 109.99 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 52.31 111.119 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.8 mm? -87.19 169.82 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.8 t -149.36 108.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.5 103.82 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 55.03 111.1 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.907 -179.909 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 p . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.937 0.398 . . . . 33.32 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -78.15 -43.71 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.15 111.167 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.59 -49.6 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.093 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 ' CE2' ' A' ' 73' ' ' PHE . 99.9 t -51.04 -65.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 63.1 111.143 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.656 ' OD1' HG21 ' A' ' 35' ' ' ILE . 4.7 t30 -51.78 -47.01 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -51.21 -32.12 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 -46.62 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 41.02 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.31 -33.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 64.31 111.148 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.42 -22.34 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -80.85 -44.07 18.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.48 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.842 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.03 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.02 111.135 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -74.01 -36.26 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.1 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.99 -39.01 93.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 71.31 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -81.07 -26.2 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.848 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 65.96 48.84 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 71.01 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 91' ' ' GLN . 17.0 mt -103.62 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 62.01 111.118 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.67 75.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.888 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.33 124.85 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.35 111.105 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -110.21 75.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.656 HG21 ' OD1' ' A' ' 19' ' ' ASN . 72.5 mt -55.22 139.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 60.44 111.169 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.535 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -159.37 156.72 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 63.0 110.89 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -139.21 130.56 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.977 HD11 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -143.04 159.7 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 64.01 111.154 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -61.27 156.79 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 tp -50.23 -40.01 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 52.31 111.156 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -68.38 -33.28 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 61.22 111.125 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.89 -26.29 64.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.893 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 38' ' ' ILE . 95.9 t -66.31 -26.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 55.33 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -23.39 30.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.657 2.238 . . . . 55.51 112.392 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.57 35.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 62.41 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -97.91 -43.71 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 63.04 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.71 -49.58 51.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 53.25 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -62.22 -50.34 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 71.31 111.114 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.677 ' HB2' HD23 ' A' ' 5' ' ' LEU . . . -57.26 146.24 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 54.12 111.09 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -49.85 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 1.028 HD11 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -123.99 108.14 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 54.1 110.886 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 5' ' ' LEU . 48.3 tp -100.85 142.75 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 42.13 110.919 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -125.0 100.66 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.139 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -123.97 119.78 30.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.2 111.147 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 t -92.17 44.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 60.43 111.169 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 51.33 111.083 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.943 0.401 . . . . 74.04 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -96.34 35.71 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.918 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.21 158.32 10.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 70.25 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 65.24 112.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.3 t -50.62 134.83 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.028 HD12 HD11 ' A' ' 52' ' ' LEU . 88.6 mt -117.28 105.22 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 70.14 111.114 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.26 133.64 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -96.1 39.64 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 71.25 111.045 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -52.51 -38.29 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 71.43 110.836 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.406 ' CG ' ' HG1' ' A' ' 82' ' ' THR . 3.7 p-10 -61.1 -36.37 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.904 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 18' ' ' VAL . 53.8 m-85 -65.62 -35.73 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.946 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.483 -0.247 . . . . 65.11 112.483 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 55.8 mt -50.9 -43.07 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 64.14 111.095 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.58 -38.58 55.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.4 110.91 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.88 -60.46 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.14 110.878 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.667 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -59.04 -40.76 86.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 70.01 111.14 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.467 ' HD3' HG22 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -50.35 -35.37 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.897 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -55.39 -35.05 64.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 72.45 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -84.51 -51.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.742 HG13 HD13 ' A' ' 68' ' ' ILE . 2.8 mp -53.86 -53.24 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.158 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.84 -34.44 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 m -53.09 -29.96 33.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 71.11 111.179 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -131.98 31.4 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 54.44 110.893 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.26 -34.83 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.04 110.936 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.731 ' HB3' HD13 ' A' ' 31' ' ' ILE . 4.1 pp0? -119.71 -28.89 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.926 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.874 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 72.2 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HE3' HD23 ' A' ' 90' ' ' LEU . 1.1 mmmp? -132.04 91.88 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -74.93 121.81 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.903 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 52' ' ' LEU . 97.2 t -123.11 142.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.167 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.663 HD22 HD12 ' A' ' 38' ' ' ILE . 44.3 mt -98.87 169.63 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 53.22 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.43 101.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.149 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.52 99.26 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.103 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.595 ' HG ' ' N ' ' A' ' 15' ' ' SER . 23.2 p . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 73.12 110.906 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.595 ' N ' ' HG ' ' A' ' 8' ' ' CYS . 77.2 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.929 0.395 . . . . 62.43 110.849 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.78 -50.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 44.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.38 -53.7 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 14.45 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 73' ' ' PHE . 96.5 t -51.61 -65.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.109 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.447 HD22 HG21 ' A' ' 35' ' ' ILE . 1.3 t-20 -50.19 -53.64 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.872 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.19 -32.82 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 63.04 110.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.54 -38.8 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.52 -34.13 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 62.32 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.95 -32.77 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.41 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.31 -35.88 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.889 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 ptm -87.29 -40.62 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 65.24 110.842 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.94 -45.55 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 71.43 111.106 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -58.57 -37.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.5 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.06 -41.03 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -74.2 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 60.11 110.877 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.6 42.37 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 63.25 110.867 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 mt -98.04 150.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.54 111.105 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.98 61.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.866 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -124.22 121.76 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 44.3 111.107 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.85 133.22 52.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.831 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.447 HG21 HD22 ' A' ' 19' ' ' ASN . 3.7 mt -89.09 145.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.51 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -134.32 149.06 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.908 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -122.71 120.55 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 70.32 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.663 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.16 171.57 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.152 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -82.94 161.69 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.901 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.679 HG23 HG23 ' A' ' 41' ' ' THR . 7.0 tp -54.08 -36.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.31 111.121 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 40' ' ' ILE . 27.9 p -94.71 28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 64.51 111.147 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -120.16 -24.34 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.879 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.715 HG21 HD22 ' A' ' 53' ' ' LEU . 7.3 p -68.61 -23.91 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.11 111.137 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -66.37 1.73 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 51.03 112.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -20.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 55.01 112.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.634 ' HB3' HD11 ' A' ' 5' ' ' LEU . 14.0 m-85 -91.84 36.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 63.33 110.903 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -89.23 -36.29 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.78 -61.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -56.37 -51.51 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.34 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -80.99 119.57 23.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 65.13 111.111 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -84.31 -50.58 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.843 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -99.19 145.48 27.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 63.45 110.942 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.715 HD22 HG21 ' A' ' 43' ' ' VAL . 19.8 tp -136.64 146.17 45.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.944 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.3 t -142.59 120.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 111.155 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -148.27 159.96 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.114 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' ALA . 19.1 p -100.55 -39.56 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.124 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 61.14 111.079 179.887 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.913 0.387 . . . . 75.43 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -108.35 42.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 70.24 110.891 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.1 p90 -168.13 158.0 8.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 71.45 110.933 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.757 2.304 . . . . 44.2 112.32 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.6 t -56.44 147.5 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 64.15 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.843 HD12 HD11 ' A' ' 52' ' ' LEU . 10.4 mt -131.51 119.96 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 72.43 111.164 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -63.35 137.49 58.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.66 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -95.08 34.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.12 111.089 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -61.42 -34.54 75.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.844 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.01 -30.84 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.34 110.852 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 35.7 m-85 -88.83 45.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.88 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.934 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.5 -0.24 . . . . 64.31 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.718 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.5 mt -60.82 -48.54 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.336 . . . . 62.21 111.136 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.49 -35.99 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 51.24 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -60.63 -68.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.899 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.549 ' O ' HD12 ' A' ' 86' ' ' ILE . 95.4 m -56.6 -35.75 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.156 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.68 -34.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.9 -34.65 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -71.58 -49.04 44.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 60.45 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.782 HG13 HD13 ' A' ' 68' ' ' ILE . 4.0 mp -63.74 -49.28 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.125 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.475 HD11 ' HG2' ' A' ' 91' ' ' GLN . 18.0 tp -52.0 -35.77 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.13 110.976 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.3 m -51.27 -31.26 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.2 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.59 -41.09 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.9 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 86' ' ' ILE . 60.9 mt -51.1 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.475 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.9 pp0? -96.77 31.42 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.952 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.904 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.357 . . . . 44.2 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HE2' HD12 ' A' ' 90' ' ' LEU . 11.9 mmmt -134.29 83.45 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.882 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -69.41 98.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.912 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 52' ' ' LEU . 43.0 t -108.51 115.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 61.31 111.103 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 46' ' ' TYR . 10.8 mp -75.74 173.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 51.1 110.921 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -150.28 99.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.136 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.764 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -101.92 156.41 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.097 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.876 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.972 0.415 . . . . 62.25 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.595 HG22 ' ND2' ' A' ' 20' ' ' ASN . 1.2 m -119.52 -41.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.132 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.05 -41.35 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.808 HG22 ' HB3' ' A' ' 73' ' ' PHE . 21.4 t -59.44 -60.77 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 64.53 111.145 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.479 HD22 HG21 ' A' ' 35' ' ' ILE . 1.2 t-20 -58.59 -52.32 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.595 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.2 m-80 -51.81 -29.01 17.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.912 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 -60.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.073 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.711 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 47.7 mm -51.69 -33.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.172 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.32 -32.58 62.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.898 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.575 ' CE ' HG21 ' A' ' 79' ' ' ILE . 15.8 ptp -92.33 -41.08 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.063 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -58.29 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 70.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -69.08 -36.06 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -73.2 -26.48 61.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.846 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.18 43.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.886 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 mt -106.04 151.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 71.42 111.162 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 73.57 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.911 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.03 129.27 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.104 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.28 78.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 70.3 110.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.479 HG21 HD22 ' A' ' 19' ' ' ASN . 5.3 mt -55.57 133.15 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.121 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 147.11 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.903 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -123.03 129.17 51.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 63.23 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.46 174.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.163 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -82.05 161.23 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.894 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.91 -37.66 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -95.96 29.45 2.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.142 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -119.78 -23.11 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 62.24 110.855 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 53' ' ' LEU . 6.8 p -68.5 -23.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 64.51 111.129 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.21 -67.07 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.32 112.509 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -21.29 33.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 61.42 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.525 ' HB3' HD21 ' A' ' 5' ' ' LEU . 15.8 m-85 -92.34 37.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.15 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -99.41 -36.18 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 75.54 110.908 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.97 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.833 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.6 p -56.0 -51.43 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.119 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -64.32 141.68 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.109 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -89.74 -59.96 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.742 ' CD1' HG23 ' A' ' 86' ' ' ILE . 3.8 mt -108.41 168.15 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 43' ' ' VAL . 27.6 tp -148.94 137.13 20.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 1.032 HG12 ' HB2' ' A' ' 70' ' ' ALA . 28.5 t -135.98 112.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 55.13 111.113 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.764 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 5.6 t -142.35 143.1 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 60.54 111.133 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -64.18 -35.46 80.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 55.41 111.151 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 55' ' ' THR . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.077 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.459 ' CD1' HG21 ' A' ' 67' ' ' VAL . 65.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.902 0.382 . . . . 61.21 110.957 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -100.32 36.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.46 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -165.73 158.16 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 73.14 110.841 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 79.95 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 71.43 112.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.54 ' O ' HD13 ' A' ' 68' ' ' ILE . 46.7 t -52.66 147.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 71.42 111.141 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 67' ' ' VAL . 31.9 mm -129.42 110.02 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.146 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.72 131.16 30.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 51.4 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 1.032 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.79 34.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.05 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -34.84 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 64.11 110.845 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.09 -30.92 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.04 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.808 ' HB3' HG22 ' A' ' 18' ' ' VAL . 78.3 m-85 -90.45 45.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 73.04 110.909 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 72.23 110.921 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.495 -0.242 . . . . 50.11 112.495 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.77 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 75.8 mt -87.64 -33.48 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 54.23 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -72.29 -34.54 68.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.853 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.03 -33.67 75.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 61.34 110.888 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.647 ' O ' HD12 ' A' ' 86' ' ' ILE . 54.5 m -93.46 -34.1 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.4 111.134 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -50.18 -45.57 53.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -50.36 -44.78 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.41 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.0 -46.21 82.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.951 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 52' ' ' LEU . 4.1 mp -69.36 -53.95 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 44.32 111.138 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -50.06 -32.81 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.922 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.9 m -49.99 -30.26 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.18 -32.13 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' HE2' ' A' ' 2' ' ' LYS . 4.1 tp -49.43 -63.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.93 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.1 -38.9 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.85 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.808 0.337 . . . . 54.21 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.576 ' HE2' HD12 ' A' ' 90' ' ' LEU . 3.0 mmmm -98.77 71.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.921 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.87 112.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.916 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 2' ' ' LYS . 91.2 t -108.61 109.59 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.51 111.151 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 36' ' ' LYS . 4.3 mm? -77.4 172.32 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 65.35 110.863 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.456 HG11 HE22 ' A' ' 37' ' ' GLN . 95.3 t -150.31 106.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 74.23 111.086 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.29 161.04 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.01 111.131 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 42.41 110.857 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 p . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.929 0.395 . . . . 71.2 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -121.04 -52.05 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.24 111.167 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.42 -40.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.756 HG13 ' CE2' ' A' ' 73' ' ' PHE . 46.0 t -62.21 -67.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.42 111.145 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -51.36 -42.47 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.904 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.72 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 35.21 111.091 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' ' 83' ' ' LYS . 48.0 mm -77.57 -38.34 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.25 111.129 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -64.73 -35.74 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 65.51 110.908 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -76.69 -34.97 58.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.0 -50.02 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.47 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -69.57 -43.61 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.07 -35.91 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -80.23 -28.67 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 71.53 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 65.48 45.18 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.865 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.4 mt -98.98 151.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.42 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -75.39 69.25 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.916 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 90' ' ' LEU . 7.3 p -138.4 127.45 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.858 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -121.61 150.06 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 75.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.734 ' HB3' HD13 ' A' ' 5' ' ' LEU . 1.3 ttmm -149.82 145.0 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.894 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.456 HE22 HG11 ' A' ' 6' ' ' VAL . 9.8 mm100 -116.11 120.73 39.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 60.03 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.621 HD12 HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -142.68 177.93 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.13 111.153 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -98.03 166.45 11.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.931 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.735 ' O ' HG12 ' A' ' 43' ' ' VAL . 2.2 mp -56.54 -28.48 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.412 HG22 ' HB3' ' A' ' 39' ' ' LYS . 5.1 t -81.71 -27.58 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 53.31 111.141 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.48 -23.84 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 53.12 110.897 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 40' ' ' ILE . 3.6 p -68.26 -20.97 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.143 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.63 -67.4 1.68 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.552 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.04 35.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 72.51 112.312 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.41 34.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.99 -59.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.42 -51.37 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 72.35 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -53.46 -54.38 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 64.52 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.68 165.83 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.119 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.05 -49.79 3.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.875 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.527 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -117.88 150.33 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.904 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.527 ' H ' HD13 ' A' ' 52' ' ' LEU . 22.2 tp -140.03 146.06 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.43 110.885 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 68' ' ' ILE . 92.9 t -137.78 121.53 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 63.04 111.147 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -149.93 147.86 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.169 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -98.09 36.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 74.45 111.11 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.13 179.865 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.683 ' CD1' HG21 ' A' ' 67' ' ' VAL . 29.1 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.959 0.409 . . . . 74.42 110.9 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -101.87 39.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.907 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.48 158.41 4.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 51.42 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.95 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 72.22 112.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 63' ' ' TYR . 97.9 t -57.68 139.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.692 ' O ' HG13 ' A' ' 54' ' ' VAL . 25.7 mm -115.51 107.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.154 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -63.33 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.474 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . . . -95.13 35.81 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.23 111.127 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -42.01 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.887 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.15 -35.16 59.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.11 110.929 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.756 ' CE2' HG13 ' A' ' 18' ' ' VAL . 13.0 m-85 -58.73 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.875 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.922 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.475 -0.25 . . . . 51.5 112.475 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.4 mt -69.55 -34.67 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 63.03 111.131 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -51.66 -35.62 43.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.57 -43.73 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.73 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.5 m -58.76 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.55 111.14 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.654 ' HE2' HG23 ' A' ' 22' ' ' ILE . 13.0 tptp -51.8 -35.17 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.914 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -60.23 -35.77 76.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 70.54 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -76.61 -52.11 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.904 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -58.82 -48.07 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.69 -34.66 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 60.11 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 m -49.79 -33.88 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.02 111.175 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -105.4 -34.76 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 63.04 110.909 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.576 HD12 ' HE2' ' A' ' 2' ' ' LYS . 8.1 tp -51.26 -62.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 74.42 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -97.36 -34.13 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.909 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.7 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.908 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.829 0.347 . . . . 73.22 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -97.61 155.69 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -134.27 119.22 18.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 52' ' ' LEU . 21.9 t -128.17 118.1 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 111.125 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.825 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.5 mm? -81.63 178.83 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -150.29 90.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 65.13 111.133 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.4 92.26 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.101 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 62.4 110.885 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.937 0.399 . . . . 55.51 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -123.78 -55.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 54.44 111.143 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -51.91 -52.39 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.121 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.781 HG22 ' HB3' ' A' ' 73' ' ' PHE . 38.5 t -51.65 -64.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.4 111.111 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -51.87 -56.27 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.945 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -50.88 -32.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.32 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -77.06 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 64.43 111.092 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 48.6 mm -57.82 -52.05 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.157 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.74 -34.18 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.866 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.26 -38.07 68.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.916 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 mmt -72.75 -50.7 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.914 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.41 -34.53 35.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.03 111.057 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -64.87 -42.54 94.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 64.21 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.07 -35.69 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -82.89 -30.34 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 65.06 45.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 32' ' ' LYS . 30.3 mt -96.01 155.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 44.44 111.154 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -77.09 59.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.92 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -105.49 127.31 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.1 111.149 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -103.02 99.78 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 62.32 110.849 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.35 139.13 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 70.52 111.149 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 5' ' ' LEU . 2.3 mmtm -143.44 145.82 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.35 110.909 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.69 122.36 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 61.14 110.926 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -141.48 178.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.087 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -95.55 158.26 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.883 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.715 ' O ' HG12 ' A' ' 43' ' ' VAL . 11.1 tp -51.71 -30.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.161 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.17 -30.05 31.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.153 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -95.8 28.52 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 63.4 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.5 p -120.95 22.15 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 73.02 111.122 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.81 -67.85 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -19.46 36.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 73.02 112.383 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -92.86 38.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.908 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -107.12 -36.11 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 73.04 110.929 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.35 -43.99 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -52.94 -54.75 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 51.33 111.11 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 159.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 55.33 111.084 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.686 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -106.78 -38.86 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.82 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 51' ' ' ASP . 3.8 mm? -130.61 169.13 16.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 64.45 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.825 HD13 ' HB2' ' A' ' 5' ' ' LEU . 21.9 tp -163.6 136.87 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.939 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 70' ' ' ALA . 29.5 t -117.98 119.57 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 54.22 111.139 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -139.67 148.61 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.41 111.155 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -76.88 -35.95 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.05 111.189 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.129 179.857 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.402 ' CD1' HG21 ' A' ' 67' ' ' VAL . 41.9 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.931 0.396 . . . . 62.13 110.952 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -96.18 36.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.899 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' HD23 ' A' ' 53' ' ' LEU . 1.2 p90 -162.03 157.81 20.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.691 0.757 . . . . 73.52 110.869 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 54.51 112.4 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG22 ' HE2' ' A' ' 65' ' ' PHE . 47.7 t -53.47 146.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 65.12 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.93 148.45 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 72.22 111.159 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -86.82 138.42 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.883 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.533 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -112.34 35.85 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 61.12 111.092 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -64.21 -36.09 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 70.03 110.818 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.38 -33.72 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.781 ' HB3' HG22 ' A' ' 18' ' ' VAL . 49.2 m-85 -68.36 -29.31 68.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.955 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.513 -0.235 . . . . 64.43 112.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.632 HD13 ' HB1' ' A' ' 21' ' ' ALA . 74.4 mt -85.9 -34.38 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 72.21 111.163 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -69.5 -43.5 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.25 110.891 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.48 -46.5 73.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 65.42 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 86' ' ' ILE . 5.4 m -78.87 -36.98 41.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.3 111.115 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' HD12 ' A' ' 22' ' ' ILE . 9.0 mmmt -51.86 -33.58 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.849 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.26 -34.95 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -71.02 -51.24 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.85 HG22 HD11 ' A' ' 90' ' ' LEU . 3.5 mp -64.68 -48.16 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.51 111.121 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 90' ' ' LEU . 14.7 tp -51.51 -34.01 34.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -52.03 -30.34 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 45.31 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.64 ' CD ' HD11 ' A' ' 52' ' ' LEU . 12.7 pt-20 -112.8 29.11 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 62.23 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.85 HD11 HG22 ' A' ' 86' ' ' ILE . 81.5 mt -126.14 -35.54 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 65.14 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -115.61 -25.17 7.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.53 110.894 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.922 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 43.4 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -122.42 79.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 61.33 110.849 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.77 123.14 14.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 2' ' ' LYS . 63.3 t -130.95 133.5 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 63.25 111.086 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.83 HD11 ' HB3' ' A' ' 46' ' ' TYR . 55.2 mt -89.53 175.45 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -150.17 87.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.16 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -103.54 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 22.33 111.096 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.894 -179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.935 0.397 . . . . 65.13 110.829 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -47.65 24.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.5 111.185 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.8 -47.0 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 64.5 111.148 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.96 -68.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.137 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.573 ' OD1' HG21 ' A' ' 35' ' ' ILE . 11.0 t30 -51.72 -40.09 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.862 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 62.03 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.73 -41.2 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.102 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.646 HD12 ' HE3' ' A' ' 83' ' ' LYS . 50.6 mm -68.12 -49.48 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.098 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -35.64 37.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 71.1 110.868 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.87 -39.6 66.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 61.03 110.927 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtt -68.38 -49.46 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 64.4 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.59 40.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -46.27 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.885 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.02 -37.58 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 63.4 110.84 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.64 -30.44 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.854 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 64.83 42.28 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.02 149.54 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 55.02 111.147 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.36 65.52 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.891 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 p -118.23 142.34 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.1 111.116 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.71 123.78 46.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.908 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.573 HG21 ' OD1' ' A' ' 19' ' ' ASN . 51.6 mt -86.11 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -144.63 139.31 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.906 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.02 123.57 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.512 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -140.69 168.56 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 72.14 111.149 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 160.2 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.879 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.699 HG23 HG23 ' A' ' 41' ' ' THR . 6.6 tp -52.25 -38.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.105 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 40' ' ' ILE . 31.5 p -94.87 28.97 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.142 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -119.63 -21.87 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.642 HG21 HD22 ' A' ' 53' ' ' LEU . 6.8 p -68.73 -24.09 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.095 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.14 -66.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 70.01 112.527 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -20.96 34.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 73.23 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.83 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.1 m-85 -92.06 37.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.955 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.59 -35.94 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 72.01 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.8 -65.05 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.74 -42.76 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 63.22 111.104 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -82.2 144.03 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 70.45 111.092 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.23 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 64.11 110.88 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.824 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -96.71 137.24 36.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.895 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 43' ' ' VAL . 19.1 tp -127.28 117.59 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.936 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -113.25 111.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 71.43 111.139 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 57' ' ' ALA . 6.7 t -151.75 143.69 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.175 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -64.03 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 55' ' ' THR . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 61.34 111.108 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.488 ' CD1' HG21 ' A' ' 67' ' ' VAL . 9.0 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.988 0.423 . . . . 74.42 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 35.99 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 74.2 110.873 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.456 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -169.83 158.1 6.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.741 . . . . 73.35 110.876 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.686 2.257 . . . . 74.54 112.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 63' ' ' TYR . 47.7 t -61.19 146.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.119 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.826 HD13 HG12 ' A' ' 86' ' ' ILE . 4.0 mt -130.29 130.16 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.34 111.087 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -87.76 123.51 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -95.15 44.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.108 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -61.48 -40.04 93.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.862 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -52.78 -41.04 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.9 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 49.1 m-85 -55.0 -35.27 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.914 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.5 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.911 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.485 -0.246 . . . . 54.14 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.725 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.2 mt -51.35 -52.26 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 60.31 111.136 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.72 -36.0 45.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.48 -39.76 92.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.45 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.679 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -80.22 -43.67 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 31.24 111.14 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.78 -34.94 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.945 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.5 -35.54 74.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.977 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -77.68 -51.93 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 43.11 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.826 HG12 HD13 ' A' ' 68' ' ' ILE . 2.7 mp -58.22 -50.12 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.17 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.89 -34.58 41.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 75.55 110.923 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 m -50.31 -33.9 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 70.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.58 -39.61 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.89 -55.17 38.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -36.21 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 70.42 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.928 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 71.21 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.692 ' HE2' HD12 ' A' ' 90' ' ' LEU . 7.7 mmmt -78.79 86.46 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.04 110.932 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -62.16 125.77 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 71.15 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 52' ' ' LEU . 48.6 t -133.65 137.69 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 65.21 111.131 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 46' ' ' TYR . 44.6 mt -97.59 172.59 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.934 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -149.85 106.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 64.24 111.157 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.58 175.67 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.4 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.896 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.939 0.4 . . . . 73.52 110.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.646 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -89.73 -49.74 6.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 71.54 111.13 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.3 t -51.56 -47.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 65.23 111.095 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.6 t -54.01 -67.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' A' ' 35' ' ' ILE . 6.3 t30 -51.62 -55.15 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 70.34 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.646 ' ND2' HG22 ' A' ' 16' ' ' THR . 6.3 m-80 -51.57 -33.81 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.924 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -75.48 -55.53 5.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 51.12 111.11 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.631 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 51.2 mm -55.41 -53.17 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.36 -33.75 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -71.45 -35.89 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 73.32 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mtt -76.0 -49.03 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.55 110.872 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.79 60.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 63.13 111.13 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -60.47 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.912 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.08 -35.58 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.3 110.853 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -75.32 -27.44 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 63.14 110.825 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 65.84 43.91 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.26 152.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -73.65 74.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 61.11 110.879 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.76 137.19 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 62.53 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.89 83.54 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 43.35 110.894 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.4 HG21 ' OD1' ' A' ' 19' ' ' ASN . 81.8 mt -61.66 143.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 75.24 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -151.58 137.23 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 70.1 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -114.85 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 43.43 110.929 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.09 172.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 60.3 111.144 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -82.36 162.58 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.876 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.485 HG22 HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -57.28 -28.74 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 64.34 111.141 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.485 HG23 HG22 ' A' ' 40' ' ' ILE . 58.6 p -98.48 25.94 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.141 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -121.89 -24.48 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG21 ' CD2' ' A' ' 53' ' ' LEU . 14.9 p -68.4 -23.97 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 71.4 111.138 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.32 -66.78 1.58 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 63.42 112.437 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.44 33.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 52.44 112.321 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.815 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.4 m-85 -92.39 37.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 65.01 110.956 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -91.89 -36.27 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.21 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.07 -64.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.835 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -51.77 -55.69 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.11 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -65.14 130.91 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.132 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.38 -64.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.3 mm? -96.22 155.25 16.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 53.52 110.876 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 43' ' ' VAL . 25.1 tp -149.03 126.13 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.932 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 68' ' ' ILE . 37.8 t -122.55 120.92 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.53 111.156 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 t -153.01 149.57 28.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.171 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -66.56 -35.92 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 61.42 111.111 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 63.34 111.076 179.9 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.683 ' CD1' HG21 ' A' ' 67' ' ' VAL . 16.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.972 0.415 . . . . 72.44 110.923 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -94.69 38.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.864 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.98 158.03 9.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 70.44 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.41 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 70.11 112.379 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 63' ' ' TYR . 61.7 t -63.18 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 64.03 111.133 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 54' ' ' VAL . 25.9 mm -123.5 112.22 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.112 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -51.69 137.85 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.897 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.11 34.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.073 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -74.56 -35.05 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.884 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.9 -27.75 68.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 65.04 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 25.3 m-85 -89.24 44.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.23 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 72.03 110.947 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.454 -0.258 . . . . 35.45 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.802 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 39.6 mt -125.6 -54.34 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 71.23 111.114 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -50.7 -35.68 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 61.42 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.64 -51.16 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.866 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.772 HG22 HD11 ' A' ' 86' ' ' ILE . 7.9 m -69.92 -44.56 69.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 63.05 111.148 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.402 ' HG3' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.36 -34.25 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.895 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.12 -35.43 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -75.29 -51.67 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 75.45 110.919 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.772 HD11 HG22 ' A' ' 82' ' ' THR . 3.4 mp -60.51 -38.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.159 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.07 -35.67 79.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.893 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.49 -34.53 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 73.33 111.201 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.489 ' OE1' HD11 ' A' ' 52' ' ' LEU . 11.8 pt-20 -100.45 -36.44 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.897 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.692 HD12 ' HE2' ' A' ' 2' ' ' LYS . 11.3 tp -53.24 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.923 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -105.64 32.49 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.949 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.852 0.358 . . . . 74.52 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.21 91.84 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.38 114.01 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.3 t -118.34 141.83 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 60.42 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' A' ' 46' ' ' TYR . 42.5 mt -99.54 169.54 9.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.883 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -148.0 90.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.121 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.64 157.67 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 75.1 111.128 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 54.42 110.863 -179.904 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.916 0.389 . . . . 72.12 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -88.18 -51.68 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.21 111.12 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.67 -48.19 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 64.31 111.105 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.37 -66.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 60.24 111.112 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.625 ' OD1' HG21 ' A' ' 35' ' ' ILE . 17.6 t30 -52.09 -42.54 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.851 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.87 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -43.79 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.14 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.726 HD12 ' HE3' ' A' ' 83' ' ' LYS . 50.2 mm -66.52 -50.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 62.31 111.15 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -51.34 -35.92 40.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 53.4 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -70.5 -36.86 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.882 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mtt -73.19 -48.88 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.15 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.29 -43.08 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.113 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -58.88 -44.74 91.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 60.14 110.886 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.5 -35.72 78.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.21 -27.94 47.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 65.52 45.38 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mt -105.83 151.87 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.42 111.12 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 73.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.953 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG22 HD12 ' A' ' 90' ' ' LEU . 20.1 t -107.27 134.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 72.01 111.132 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.6 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 64.51 110.899 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.625 HG21 ' OD1' ' A' ' 19' ' ' ASN . 58.4 mt -67.97 135.71 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.43 111.15 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.5 151.6 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.912 179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.67 132.21 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 73.32 110.962 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.34 171.97 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.152 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.29 161.55 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 63.1 110.911 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.665 HG23 HG23 ' A' ' 41' ' ' THR . 7.3 tp -54.36 -37.09 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.53 111.155 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.665 HG23 HG23 ' A' ' 40' ' ' ILE . 41.5 p -95.03 28.15 2.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 72.34 111.123 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -119.12 -23.34 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 53' ' ' LEU . 7.0 p -68.7 -23.55 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 52.54 111.132 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -66.82 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 70.44 112.526 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.24 33.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 70.41 112.339 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.826 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.6 m-85 -92.23 37.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.941 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.01 -35.74 11.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 70.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.8 -64.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.75 -42.73 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.145 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -77.42 142.0 39.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.101 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -96.91 -60.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.85 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -102.7 149.72 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.896 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.543 ' H ' HD13 ' A' ' 52' ' ' LEU . 31.7 tp -140.7 138.53 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 75.15 110.905 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.9 t -133.25 125.15 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.21 111.121 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -149.64 162.95 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.45 111.124 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p -111.34 -36.24 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 61.13 111.149 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 51.01 111.087 179.861 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.952 0.406 . . . . 73.3 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -96.07 37.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.49 157.92 13.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 72.33 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 87.64 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.01 112.375 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.04 147.62 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 63.41 111.172 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -128.55 129.11 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 63.35 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -74.99 140.02 43.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -110.79 35.52 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 63.11 111.055 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -72.56 -37.96 68.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -52.24 -35.77 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.683 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 25.2 m-85 -62.06 -35.9 80.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.88 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.929 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.517 -0.233 . . . . 73.13 112.517 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.683 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 57.3 mt -51.15 -38.07 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 74.44 111.126 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.86 -36.0 71.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.79 -54.93 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.732 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.1 m -67.41 -46.97 71.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 44.35 111.154 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.726 ' HE3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.73 -34.74 40.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.863 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -61.79 -35.31 77.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -75.42 -52.07 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.44 110.942 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 82' ' ' THR . 2.8 mp -60.89 -47.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.171 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.21 -40.86 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.11 110.874 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.1 m -49.91 -31.01 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 63.1 111.149 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.14 -49.72 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD12 HG22 ' A' ' 33' ' ' VAL . 2.6 mm? -51.5 -45.91 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.957 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.7 -47.33 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.936 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.865 0.364 . . . . 74.13 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -118.22 80.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.39 99.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 61.23 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.637 HG13 ' C ' ' A' ' 52' ' ' LEU . 47.8 t -112.57 130.43 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.01 111.131 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.879 HD13 HG13 ' A' ' 43' ' ' VAL . 4.7 mt -94.71 174.72 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.2 t -149.79 102.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.171 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -133.75 102.64 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.083 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.843 -179.913 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.997 0.427 . . . . 74.44 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -109.86 -50.59 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.42 111.157 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.76 -45.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 51.31 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.816 HG22 ' HB3' ' A' ' 73' ' ' PHE . 25.6 t -55.63 -64.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.54 111.115 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.24 -56.98 12.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.86 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -51.15 -34.03 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 35.15 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.18 -58.03 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 63.35 111.083 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.709 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 49.0 mm -54.96 -53.77 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.03 111.143 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -51.11 -33.21 25.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 54.52 110.903 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -74.38 -35.98 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.849 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 mmt -73.68 -49.01 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.934 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.0 -43.26 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 64.42 111.081 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -57.66 -44.08 85.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 62.25 110.888 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -60.35 -35.72 76.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.851 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -80.22 -26.87 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.892 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 65.91 47.79 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.941 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.28 152.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -73.79 74.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.854 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.6 t -109.16 137.07 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 61.4 111.119 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.3 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.05 138.7 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 63.15 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.782 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -136.68 157.52 46.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.861 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -142.64 108.41 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.884 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.997 HD11 HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -141.13 171.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.12 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 43' ' ' VAL . 32.5 mttp -69.52 150.84 46.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.909 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.614 HD13 ' HB1' ' A' ' 7' ' ' ALA . 39.9 mm -47.36 -54.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.155 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -61.45 -30.24 70.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 73.45 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -11.79 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.997 HG22 HD11 ' A' ' 38' ' ' ILE . 3.1 t -89.86 36.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.109 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.24 -66.79 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.31 112.528 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -18.95 36.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 74.1 112.385 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.757 ' HB3' HD11 ' A' ' 5' ' ' LEU . 35.3 m-85 -92.66 37.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.914 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -93.93 -51.09 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.929 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.49 -48.87 9.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -51.81 -57.56 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.172 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 158.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 41.31 111.109 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.8 -52.14 3.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.807 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.637 ' C ' HG13 ' A' ' 4' ' ' VAL . 26.6 mt -134.67 168.34 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.03 110.885 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 5' ' ' LEU . 25.7 tp -153.37 119.74 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.928 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.1 t -100.2 129.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.44 111.147 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -155.51 159.69 39.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 63.14 111.172 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 70' ' ' ALA . 26.0 p -101.73 -41.03 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.142 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.131 179.862 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.636 ' CD1' HG21 ' A' ' 67' ' ' VAL . 30.0 m-85 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.886 0.374 . . . . 70.42 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -108.5 38.77 2.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.955 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.79 159.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 74.35 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.41 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.739 2.292 . . . . 73.45 112.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.636 HG21 ' CD1' ' A' ' 63' ' ' TYR . 90.2 t -51.6 137.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 60.34 111.146 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD13 HG13 ' A' ' 86' ' ' ILE . 10.9 mt -111.51 116.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 61.53 111.098 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -57.41 129.2 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 32.12 110.866 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.851 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.06 35.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 54.54 111.086 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -71.05 -35.41 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -65.63 -20.67 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.04 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.816 ' HB3' HG22 ' A' ' 18' ' ' VAL . 81.0 m-85 -90.1 39.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 64.3 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 62.5 110.893 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.448 -0.261 . . . . 62.44 112.448 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.585 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 56.0 mt -51.37 -35.13 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 72.42 111.124 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -54.88 -35.65 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.913 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.42 -33.1 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 62.53 110.878 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.675 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.9 m -85.95 -31.6 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 51.43 111.165 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.473 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.36 -52.68 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.875 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -51.62 -42.18 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.871 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -69.07 -52.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.03 111.106 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 91' ' ' GLN . 13.2 tp -50.49 -32.64 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.941 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.6 m -49.82 -31.2 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 71.42 111.143 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.1 -32.62 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.899 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.537 HD13 ' CG2' ' A' ' 86' ' ' ILE . 1.9 tp -49.84 -57.74 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.43 110.93 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.7 pp0? -114.95 32.82 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 63.13 110.966 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 71.1 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 4' ' ' VAL . 12.6 mmmt -118.64 83.41 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.44 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -58.73 112.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 65.44 110.936 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 52' ' ' LEU . 95.3 t -118.87 140.18 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.127 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 46' ' ' TYR . 36.0 mt -97.02 176.26 6.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -150.0 106.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.04 111.149 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.78 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -118.32 79.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 73.15 110.878 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.935 0.398 . . . . 74.45 110.824 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.5 HG22 ' ND2' ' A' ' 20' ' ' ASN . 2.6 m -104.33 -35.59 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.05 111.146 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.64 -50.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.11 111.135 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 73' ' ' PHE . 24.1 t -56.27 -61.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 70.52 111.139 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -52.01 -60.11 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.5 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.0 m-80 -51.72 -34.53 39.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 73.51 110.932 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.584 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -69.84 -56.81 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.081 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 48.8 mm -55.28 -54.86 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 72.11 111.133 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -52.28 -33.6 42.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 63.41 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.95 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 mmt -88.34 -43.63 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 72.01 110.904 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.52 -40.09 58.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.158 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 61.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -78.95 -35.87 42.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -75.09 -29.93 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 65.2 40.45 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 55.25 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.8 mt -96.18 150.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.149 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.78 67.3 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.943 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.73 126.22 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 65.55 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 105.79 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.852 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.472 HD11 HG22 ' A' ' 22' ' ' ILE . 36.6 mt -73.0 143.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.153 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -147.69 134.87 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 71.13 110.896 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.67 131.03 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.669 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.7 177.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.42 111.104 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -79.33 154.23 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.893 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 43' ' ' VAL . 8.3 tp -50.67 -29.83 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 70.44 111.123 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.8 p -86.47 -31.8 21.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -25.66 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.868 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.2 p -64.46 -27.36 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 62.3 111.132 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.59 -68.06 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 65.44 112.458 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -22.39 31.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 72.03 112.316 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.769 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.4 m-85 -92.71 35.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.959 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.64 -42.49 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 74.12 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -72.08 -59.37 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 73.42 111.127 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -65.99 141.31 58.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.07 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -97.27 -48.82 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 65.53 110.825 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.816 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -112.5 139.78 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 55.31 110.877 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.531 ' N ' HD13 ' A' ' 52' ' ' LEU . 26.4 tp -129.66 132.72 46.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.947 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.2 t -128.83 120.81 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.117 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.78 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 2.1 t -150.77 150.57 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.159 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.516 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 36.3 p -81.99 -38.64 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.152 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 62.14 111.134 179.876 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' HG21 ' A' ' 67' ' ' VAL . 16.8 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.927 0.394 . . . . 73.44 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -115.78 35.84 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 53.14 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.455 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.1 p90 -168.46 158.03 8.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 74.42 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.19 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 53.14 112.38 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 63' ' ' TYR . 44.4 t -61.26 147.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 55.51 111.128 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 52' ' ' LEU . 4.3 mt -130.93 138.51 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.141 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -77.41 141.79 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.931 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 56' ' ' THR . . . -100.93 35.18 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.11 111.115 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -59.62 -48.21 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.891 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -53.0 -28.98 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.827 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.759 ' HB3' HG22 ' A' ' 18' ' ' VAL . 87.5 m-85 -88.59 45.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.881 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 tp . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.911 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.456 -0.258 . . . . 44.11 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.709 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 85.6 mt -56.93 -38.82 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 74.41 111.12 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.0 -34.61 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 51.45 110.918 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.12 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.22 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.631 ' O ' HD12 ' A' ' 86' ' ' ILE . 12.6 m -70.25 -43.28 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.21 111.138 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HD3' HD12 ' A' ' 22' ' ' ILE . 44.1 tptt -51.39 -35.3 38.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.89 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.05 -35.82 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -72.08 -49.48 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 72.51 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.724 HG13 HD13 ' A' ' 68' ' ' ILE . 4.4 mp -62.48 -40.89 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 73.22 111.112 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.52 -35.14 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 62.33 110.873 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.05 -30.21 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 64.32 111.121 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.12 -45.45 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 71.24 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.712 HD12 HG22 ' A' ' 86' ' ' ILE . 4.3 mt -51.14 -42.56 60.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 72.15 110.907 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.89 -46.96 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.919 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 70.41 110.917 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 74.24 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' ' 4' ' ' VAL . 7.0 mmmt -127.46 78.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.937 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.64 114.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 61.14 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' LYS . 98.7 t -119.98 125.67 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.158 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.732 HD11 ' HB3' ' A' ' 46' ' ' TYR . 46.8 mt -94.13 168.89 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 50.12 110.912 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.5 t -150.4 82.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.148 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.35 83.19 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 62.44 111.076 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.7 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 53.03 110.892 -179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.94 0.4 . . . . 71.04 110.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -38.01 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 70.01 111.127 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.54 -35.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.071 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' CE2' ' A' ' 73' ' ' PHE . 33.1 t -70.88 -63.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 53.25 111.13 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.483 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.0 t30 -51.61 -43.79 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 61.34 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.14 -29.33 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.38 -40.41 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 34.15 111.121 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.434 HD12 ' HD3' ' A' ' 83' ' ' LYS . 48.4 mm -68.51 -38.03 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.123 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -35.37 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.55 110.857 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.51 -45.28 87.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.448 ' HE2' ' HB3' ' A' ' 25' ' ' MET . 20.2 ptp -76.6 -42.13 43.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 61.24 111.066 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -60.95 -38.73 86.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.946 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.2 -36.53 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 60.13 110.887 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.59 -29.62 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.839 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 65.44 42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.85 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mt -96.04 149.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.3 111.156 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -76.84 62.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.897 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.99 129.86 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 43.43 111.137 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.57 86.89 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.862 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.483 HG21 ' OD1' ' A' ' 19' ' ' ASN . 41.0 mt -61.21 144.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 61.25 111.174 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.79 -177.95 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.844 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -164.2 130.12 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.57 -175.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.22 111.147 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -90.53 158.46 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.877 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 43' ' ' VAL . 10.7 tp -51.95 -28.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.53 111.104 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.5 p -85.29 -31.42 23.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.129 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -71.85 -28.45 63.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 62.41 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.9 p -71.3 -17.4 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.097 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.75 -66.94 1.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 71.21 112.534 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.02 36.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 60.1 112.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.732 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.6 m-85 -92.37 37.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.899 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -93.39 -36.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -80.96 -53.69 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.05 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 p -55.19 -61.21 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.154 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.48 47.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 72.31 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -96.18 -36.94 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.667 HD23 ' CD ' ' A' ' 89' ' ' GLU . 1.1 tm? -131.86 132.17 43.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 74.34 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 52' ' ' LEU . 32.0 tp -130.72 131.93 45.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 41.45 110.9 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.877 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.9 t -123.95 118.05 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 70.21 111.118 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -121.42 137.2 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.179 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -60.81 -42.5 97.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 74.2 111.17 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 74.25 111.093 179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.946 0.403 . . . . 73.02 110.919 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -105.29 37.75 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 72.23 110.893 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.67 157.99 9.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 74.34 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 82.14 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.239 . . . . 44.24 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.477 ' O ' HD13 ' A' ' 68' ' ' ILE . 61.6 t -52.78 143.07 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 61.33 111.087 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 86' ' ' ILE . 26.7 mm -131.0 143.62 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -84.16 138.5 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.877 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -107.09 35.2 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 41.4 111.076 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.92 -35.87 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.874 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -58.6 -35.74 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 65.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.747 ' CE2' HG13 ' A' ' 18' ' ' VAL . 21.6 m-85 -63.07 -35.8 81.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 45.1 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.878 -179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.512 -0.235 . . . . 65.52 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.625 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 79.6 mt -51.33 -34.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 63.44 111.123 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.31 -35.5 79.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.52 -55.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 75.11 110.863 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -69.29 -51.7 34.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.126 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.434 ' HD3' HD12 ' A' ' 22' ' ' ILE . 9.3 tptm -53.06 -32.22 45.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 61.01 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -32.48 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 62.24 110.928 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -91.68 -51.43 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 55.22 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.629 HD11 HG21 ' A' ' 68' ' ' ILE . 3.4 mt -55.18 -34.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 63.3 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 90' ' ' LEU . 28.3 tp -71.27 -23.8 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.902 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.8 m -50.72 -33.21 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.54 111.139 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.667 ' CD ' HD23 ' A' ' 52' ' ' LEU . 5.4 pt-20 -91.78 -32.59 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.914 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.579 ' HB2' HD12 ' A' ' 87' ' ' LEU . 6.3 mp -50.96 -36.18 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 51.33 110.873 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 62.43 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HE3' HD12 ' A' ' 90' ' ' LEU . 1.1 mmmp? -84.33 69.99 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.891 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.34 115.26 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 2' ' ' LYS . 75.0 t -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 71.31 111.119 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.678 HD23 HD12 ' A' ' 38' ' ' ILE . 7.2 mp -115.99 171.63 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -147.06 108.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.119 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.42 75.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 70.23 111.086 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' SG ' HG22 ' A' ' 56' ' ' THR . 95.0 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 45.41 110.901 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.928 0.394 . . . . 72.42 110.838 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.684 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -108.37 -38.75 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 70.14 111.153 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.04 -39.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 73' ' ' PHE . 20.1 t -59.8 -63.99 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.093 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.46 -45.34 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.898 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.684 ' ND2' HG22 ' A' ' 16' ' ' THR . 1.8 m-80 -52.4 -28.36 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.873 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.06 -58.17 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.45 111.094 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.548 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 49.5 mm -50.83 -31.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 72.32 111.12 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -38.1 88.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.84 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.1 -30.27 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.477 ' HE3' HD13 ' A' ' 79' ' ' ILE . 40.4 mtt -76.68 -57.66 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.832 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.99 -34.94 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 62.52 111.115 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -65.92 -42.72 89.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.9 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.94 -39.06 90.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.924 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.8 -27.26 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.77 42.63 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.1 149.64 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.143 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -76.11 67.98 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.863 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 2' ' ' LYS . 7.2 p -130.39 127.9 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.119 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -96.12 159.0 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.873 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.66 136.2 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 51.3 111.119 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.69 170.81 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 60.53 110.92 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -157.33 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.678 HD12 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -142.47 178.28 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.35 111.146 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.45 ' HB3' HG22 ' A' ' 41' ' ' THR . 4.5 tttp -99.09 163.87 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.922 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.699 ' O ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -52.82 -27.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 64.2 111.102 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 39' ' ' LYS . 10.9 t -82.57 -30.99 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.167 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -95.53 27.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.863 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.5 p -121.82 22.28 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 72.3 111.145 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.3 -68.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 62.22 112.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.77 35.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 62.2 112.346 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.91 38.33 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 64.12 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -93.5 -36.74 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 63.21 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.64 -36.89 4.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.86 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.9 p -51.57 -47.68 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.22 111.167 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 5' ' ' LEU . . . -59.31 120.42 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.42 111.093 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.94 -35.81 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.589 HD11 ' CG1' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -145.49 133.13 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.922 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' A' ' 5' ' ' LEU . 62.5 tp -126.36 133.06 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.94 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.661 HG12 ' HB2' ' A' ' 70' ' ' ALA . 39.4 t -120.43 122.57 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.101 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 t -140.91 161.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.53 111.147 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.405 HG22 ' SG ' ' A' ' 8' ' ' CYS . 1.3 t -120.65 -33.63 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 63.04 111.144 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.081 179.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.646 ' CD1' HG21 ' A' ' 67' ' ' VAL . 18.4 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.894 0.378 . . . . 75.42 110.926 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -95.36 36.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -162.65 157.92 19.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 72.43 110.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 72.44 112.346 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.646 HG21 ' CD1' ' A' ' 63' ' ' TYR . 79.7 t -51.75 144.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 42.3 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.715 HG21 HD11 ' A' ' 86' ' ' ILE . 45.3 mm -115.0 126.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 63.51 111.091 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -66.06 134.33 52.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.899 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 73' ' ' PHE . . . -116.12 35.64 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 71.24 111.09 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -54.18 -35.95 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.859 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -73.69 -34.89 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 42.15 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 48.0 m-85 -64.21 -30.51 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 64.12 110.884 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.24 110.896 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.489 -0.244 . . . . 65.24 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.691 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 74.2 mt -74.88 -47.8 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 52.22 111.128 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -52.02 -35.89 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 75.05 110.912 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.64 -37.74 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.908 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.719 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.4 m -87.98 -37.68 16.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 64.24 111.115 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -51.54 -32.24 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 50.5 110.923 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -57.63 -34.21 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 65.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -81.64 -51.81 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.862 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 82' ' ' THR . 3.4 mp -57.3 -52.16 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.127 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.18 -32.4 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 70.22 110.933 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -49.91 -30.93 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.45 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.54 -31.89 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 75.35 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.591 HD12 ' HE3' ' A' ' 2' ' ' LYS . 8.0 tp -50.55 -45.06 56.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 64.24 110.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.75 -35.14 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.947 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 64.14 110.893 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.8 mtt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.83 0.348 . . . . 72.41 110.894 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HE2' HD23 ' A' ' 90' ' ' LEU . 3.7 mmmm -117.89 115.36 24.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 74.21 110.915 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -97.0 104.69 16.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 70.24 110.89 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.703 HG22 ' HB2' ' A' ' 52' ' ' LEU . 21.8 t -108.52 120.7 60.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 61.43 111.093 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD21 ' HB3' ' A' ' 46' ' ' TYR . 11.0 mp -87.03 172.65 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 74.41 110.899 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.5 t -150.25 109.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 74.23 111.08 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.72 109.22 14.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 73.45 111.1 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.4 p -119.39 145.4 46.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 73.42 110.903 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.2 82.44 0.2 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 75.0 112.488 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -130.92 -66.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 52.44 111.08 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.44 -51.07 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.752 -0.737 . . . . 72.03 112.475 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 71.7 mt -68.67 143.05 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 73.52 111.156 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.16 -55.71 19.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 70.23 111.126 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.9 p -129.04 165.42 21.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 55.32 111.144 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.9 p -74.3 92.04 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 62.0 110.841 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 m -88.13 -58.01 2.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.01 111.099 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -54.48 -48.99 69.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.131 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.444 HG22 ' HB3' ' A' ' 73' ' ' PHE . 24.9 t -55.28 -61.26 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 75.2 111.17 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -55.03 -58.43 7.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.875 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -51.32 -32.59 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 62.41 110.891 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.729 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -74.8 -61.94 1.71 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 64.53 111.085 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.649 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 49.4 mm -51.38 -53.72 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 60.14 111.115 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -51.13 -33.03 24.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 75.13 110.864 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -73.1 -37.0 66.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 64.14 110.928 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 mmt -74.34 -49.6 22.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 64.51 110.828 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.35 -37.92 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 74.51 111.079 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.78 -49.71 71.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 71.22 110.878 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.09 -36.79 71.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 75.2 110.883 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 85.9 m-70 -77.98 -26.4 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 71.1 110.851 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.42 46.61 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 61.32 110.914 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.3 mt -104.39 149.23 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.22 111.117 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -75.52 70.51 2.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.931 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.3 p -124.07 143.77 36.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 73.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -129.03 121.44 27.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 63.13 110.855 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.6 mt -79.75 143.57 12.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 64.14 111.15 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -126.71 141.74 51.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 75.13 110.931 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -121.31 122.6 40.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 65.31 110.915 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.574 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.01 172.2 6.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 73.52 111.155 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -82.85 162.43 21.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.52 110.88 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.662 HG23 HG23 ' A' ' 41' ' ' THR . 6.2 tp -54.65 -37.21 38.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.41 111.147 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.662 HG23 HG23 ' A' ' 40' ' ' ILE . 33.7 p -94.55 28.33 2.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 64.3 111.118 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -119.77 -20.94 7.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 54.32 110.848 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.661 HG21 HD22 ' A' ' 53' ' ' LEU . 6.6 p -66.91 -25.24 33.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 62.45 111.159 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.67 -67.49 1.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 74.22 112.51 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -22.25 32.27 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.649 2.233 . . . . 65.34 112.354 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.476 ' HB3' HD21 ' A' ' 5' ' ' LEU . 15.5 m-85 -92.29 37.83 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.918 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -96.85 -35.49 10.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 53.42 110.853 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -76.59 -64.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 72.31 110.852 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.71 -43.44 62.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 71.52 111.171 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -68.71 167.29 15.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 65.54 111.128 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.498 ' C ' HD22 ' A' ' 52' ' ' LEU . 8.5 t0 -120.37 -51.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.9 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.703 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.6 mm? -121.05 152.32 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 62.13 110.943 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD22 HG21 ' A' ' 43' ' ' VAL . 27.7 tp -137.62 143.83 41.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 65.12 110.923 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 68' ' ' ILE . 43.8 t -136.98 127.01 39.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 72.35 111.115 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -144.17 152.13 40.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 52.25 111.17 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.654 HG22 ' HB3' ' A' ' 70' ' ' ALA . 30.4 p -80.12 -41.2 25.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 74.13 111.142 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.94 -173.12 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 72.43 111.097 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.2 mmm 59.08 47.26 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 72.34 110.888 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.613 HG21 HG11 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -105.7 52.22 0.74 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.167 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -115.66 86.51 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 64.34 110.918 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -162.25 172.99 14.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 72.0 110.942 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -79.27 64.08 4.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 71.23 110.895 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -67.22 142.08 57.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 72.14 110.943 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -111.6 37.31 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 73.31 110.917 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -163.65 158.04 16.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.664 0.745 . . . . 74.44 110.842 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.69 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.7 2.267 . . . . 75.12 112.338 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.613 HG11 HG21 ' A' ' 59' ' ' THR . 92.0 t -64.04 144.06 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 64.03 111.13 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.55 ' O ' HG13 ' A' ' 54' ' ' VAL . 39.3 mm -122.41 114.29 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 74.13 111.179 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -51.98 141.81 17.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 51.1 110.919 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.654 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -95.05 35.23 1.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 70.24 111.091 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -72.83 -34.53 66.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 71.5 110.895 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.91 -30.53 71.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.887 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.705 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 61.0 m-85 -89.45 45.25 1.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.865 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -82.77 -37.73 24.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 65.44 110.907 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.5 t -122.53 -42.72 2.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 71.42 111.101 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.28 39.28 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.716 -0.754 . . . . 63.12 112.494 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.5 pp -128.99 -35.44 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 73.13 111.147 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.33 36.35 3.71 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 71.22 112.439 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.729 HD13 ' HB1' ' A' ' 21' ' ' ALA . 49.3 mt -75.64 -47.59 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.822 0.344 . . . . 61.11 111.161 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -51.55 -35.57 41.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 75.21 110.833 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -55.98 -68.92 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.4 110.852 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.605 HG22 ' CD1' ' A' ' 86' ' ' ILE . 3.8 m -61.94 -39.06 90.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 50.12 111.131 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.8 tptm -51.2 -38.46 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.15 110.906 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -63.92 -35.3 80.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 62.03 110.865 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 39.9 mm-40 -71.92 -52.12 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.952 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.605 ' CD1' HG22 ' A' ' 82' ' ' THR . 3.8 mt -64.35 -35.47 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 53.14 111.126 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.643 ' HA ' HD12 ' A' ' 90' ' ' LEU . 27.4 tp -68.47 -27.77 66.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.9 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 93.7 m -51.01 -34.13 27.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 74.34 111.129 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.653 ' OE1' HD21 ' A' ' 52' ' ' LEU . 11.2 pt-20 -95.24 -36.87 11.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 73.22 110.937 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 87' ' ' LEU . 60.2 mt -53.11 -52.51 58.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.095 -0.502 . . . . 73.32 110.909 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.53 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.8 pp0? -116.32 33.8 5.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 60.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 74.33 110.915 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ptt? . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.826 0.346 . . . . 51.3 110.91 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.536 ' HG3' HD13 ' A' ' 90' ' ' LEU . 21.6 mmmt -100.47 166.68 10.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 64.44 110.899 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -142.54 108.55 5.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 70.14 110.935 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.485 HG21 HD21 ' A' ' 90' ' ' LEU . 88.1 t -114.2 102.68 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 50.33 111.17 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.569 HD13 ' CB ' ' A' ' 50' ' ' ALA . 10.9 mp -76.65 173.94 11.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 55.31 110.908 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 99.0 t -150.26 109.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 60.14 111.155 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.565 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -116.63 75.48 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 70.32 111.072 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.4 t -71.75 -35.64 70.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 71.01 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 113.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.77 -0.728 . . . . 43.34 112.475 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -178.36 130.1 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 52.23 111.107 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.08 -43.32 55.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 73.04 112.5 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.3 tp -68.81 -34.53 65.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.34 . . . . 74.43 111.1 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.21 54.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 61.12 111.111 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.1 t -98.64 40.39 1.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.151 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.52 51.81 2.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 61.23 110.841 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.67 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.6 OUTLIER -99.45 -42.69 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 70.43 111.174 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.85 -46.07 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 72.41 111.085 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.557 HG22 ' HB3' ' A' ' 73' ' ' PHE . 27.8 t -55.8 -66.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 75.54 111.117 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -51.76 -53.52 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.25 110.874 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.67 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.7 m-80 -53.36 -34.72 58.7 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.31 110.876 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.53 -46.46 47.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 73.52 111.1 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.589 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 48.6 mm -63.51 -52.99 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 54.42 111.182 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -51.42 -34.75 36.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 73.32 110.937 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -64.16 -36.08 82.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.487 . . . . 73.43 110.865 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.3 mmt -82.58 -46.35 13.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 71.53 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.18 -37.27 45.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 62.44 111.112 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -61.3 -46.37 90.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 54.24 110.865 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.2 tp10 -55.37 -38.49 68.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 64.43 110.925 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 73.6 m-70 -80.38 -28.57 37.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 71.31 110.874 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.16 45.2 3.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 64.13 110.838 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.9 mt -96.35 149.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 63.12 111.108 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -75.94 66.86 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 73.23 110.896 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' CG2' HD11 ' A' ' 90' ' ' LEU . 9.8 p -113.25 140.93 30.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 72.15 111.153 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.35 98.06 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.859 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 63.8 mt -63.5 124.29 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 54.22 111.145 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.6 tttm -122.62 154.72 37.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.91 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -142.57 123.77 14.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 62.11 110.88 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.13 177.51 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 65.51 111.147 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -84.51 157.97 21.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 63.11 110.867 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.569 ' O ' HG12 ' A' ' 43' ' ' VAL . 39.9 mm -51.15 -30.22 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 71.34 111.129 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -84.86 -31.92 23.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 61.33 111.173 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -70.93 -30.52 66.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 62.44 110.887 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.645 HG21 HD22 ' A' ' 53' ' ' LEU . 8.6 p -72.21 -16.03 18.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.173 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.53 -67.01 1.52 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 53.41 112.521 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -17.31 37.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.701 2.268 . . . . 70.33 112.312 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 18.2 m-85 -93.25 37.56 1.04 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 71.34 110.884 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -91.86 -37.44 12.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 72.1 110.862 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -78.0 -60.98 2.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 63.3 110.815 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.2 p -51.62 -60.27 3.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 74.52 111.12 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.569 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -58.11 127.62 33.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 63.31 111.12 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.17 -64.56 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.24 110.845 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.51 ' CD1' HG23 ' A' ' 86' ' ' ILE . 6.3 mt -109.97 168.07 9.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 65.21 110.974 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.645 HD22 HG21 ' A' ' 43' ' ' VAL . 39.2 tp -152.06 146.3 25.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 72.42 110.899 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 68' ' ' ILE . 17.3 t -132.45 127.28 56.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.164 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 t -136.86 164.71 27.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 62.24 111.174 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.638 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 8.8 p -134.4 34.65 3.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.126 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.99 177.97 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 ptm -82.94 166.45 18.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 43.24 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.763 HG23 ' H ' ' A' ' 61' ' ' LYS . 15.1 t -175.98 178.81 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.218 -0.446 . . . . 51.44 111.139 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -54.79 -26.58 35.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 62.41 110.914 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.763 ' H ' HG23 ' A' ' 59' ' ' THR . 14.9 mttt 65.47 35.71 7.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 64.25 110.881 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -113.18 35.01 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 51.53 110.917 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.72 ' OH ' HG21 ' A' ' 59' ' ' THR . 46.1 m-85 -69.27 167.62 15.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 73.34 110.949 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -118.33 33.65 5.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 72.52 110.939 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -164.07 160.32 16.7 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.603 0.716 . . . . 75.24 110.923 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.469 ' HG2' HD21 ' A' ' 52' ' ' LEU . 53.9 Cg_endo -69.74 80.51 0.87 Allowed 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.719 2.279 . . . . 72.13 112.336 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 63' ' ' TYR . 68.8 t -64.85 145.04 14.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 55.13 111.118 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.646 HG21 HG23 ' A' ' 82' ' ' THR . 4.8 mp -116.57 139.35 43.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 73.32 111.127 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -80.6 126.39 31.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.861 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.638 ' HB3' ' CG2' ' A' ' 56' ' ' THR . . . -98.55 31.41 2.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 64.31 111.114 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 65.1 mtp180 -66.0 -35.78 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.909 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -59.0 -39.32 81.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 65.31 110.922 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.589 ' HZ ' HD11 ' A' ' 22' ' ' ILE . 80.6 m-85 -55.58 -35.76 66.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 73.54 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 tp -82.08 -34.83 29.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 70.53 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.422 HG23 ' O ' ' A' ' 75' ' ' THR . 4.6 t -163.55 117.14 1.54 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 73.45 111.157 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.31 -36.58 1.56 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 72.43 112.493 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt 53.65 67.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 73.3 111.125 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -143.62 42.99 1.03 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.743 . . . . 71.25 112.516 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 51.2 mt -56.4 -34.97 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.747 0.308 . . . . 61.23 111.104 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -54.3 -36.5 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 54.25 110.86 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -76.19 -38.86 56.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 73.11 110.904 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.646 HG23 HG21 ' A' ' 68' ' ' ILE . 90.8 m -67.75 -57.87 5.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 52.5 111.137 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.587 ' HA ' HD12 ' A' ' 86' ' ' ILE . 9.6 tptt -51.69 -35.48 42.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 45.11 110.912 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -51.97 -34.3 41.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.11 110.951 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -80.54 -45.61 17.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 72.42 110.899 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.706 ' CG2' HD23 ' A' ' 90' ' ' LEU . 3.7 mt -59.91 -54.24 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 75.55 111.091 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.78 -29.98 21.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.436 . . . . 73.04 110.952 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.6 m -49.53 -30.5 8.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.41 111.151 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' CD ' HD11 ' A' ' 52' ' ' LEU . 10.2 pt-20 -119.88 -29.63 4.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.434 . . . . 71.31 110.899 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.706 HD23 ' CG2' ' A' ' 86' ' ' ILE . 0.1 OUTLIER -48.88 -45.69 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.141 -0.481 . . . . 71.33 110.906 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -116.59 -41.85 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 75.35 110.855 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 54.21 110.857 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.815 0.341 . . . . 74.41 110.86 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 4' ' ' VAL . 28.3 mmmt -120.05 67.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 64.42 110.92 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -54.87 108.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 62.42 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 2' ' ' LYS . 95.3 t -110.97 134.29 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.3 111.137 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.803 HD11 ' HB3' ' A' ' 46' ' ' TYR . 47.3 mt -97.19 169.22 9.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 62.21 110.922 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 95.4 t -150.54 85.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 70.04 111.109 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.536 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -106.85 114.39 28.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.05 111.085 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.6 t -104.51 140.95 37.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 75.33 110.892 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.97 -91.68 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 64.41 112.463 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.59 125.67 3.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 62.21 111.121 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -160.51 -152.8 6.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 65.31 112.438 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.3 mp -96.1 -40.91 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 52.11 111.12 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.66 119.81 25.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 65.3 111.083 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.7 p -69.94 164.23 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.167 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 88.4 p -82.27 70.28 9.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 70.21 110.847 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.463 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -136.62 -46.64 0.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 72.3 111.175 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.6 t -51.75 -45.17 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 73.03 111.177 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 73' ' ' PHE . 36.9 t -56.16 -68.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 72.2 111.153 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.5 ' OD1' HG21 ' A' ' 35' ' ' ILE . 7.7 t30 -51.47 -44.28 62.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 73.1 110.899 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.463 ' ND2' HG22 ' A' ' 16' ' ' THR . 1.8 m-80 -56.02 -29.83 60.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 64.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.85 -52.57 5.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 71.52 111.086 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.484 HG23 ' CE ' ' A' ' 25' ' ' MET . 43.2 mm -57.5 -33.45 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.125 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -73.2 -24.75 60.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 73.12 110.884 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -78.47 -38.74 40.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 72.51 110.85 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.484 ' CE ' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -83.39 -37.05 23.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 70.42 110.823 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.38 85.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.42 111.071 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.48 -32.61 74.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 70.04 110.928 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.0 tp10 -72.56 -35.82 68.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 63.52 110.878 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 81.4 m-70 -79.18 -27.87 42.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.788 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.93 45.97 2.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 72.42 110.888 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 32' ' ' LYS . 20.3 mt -99.64 157.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 72.53 111.137 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' N ' HG22 ' A' ' 31' ' ' ILE . 3.9 pttt -76.71 60.18 1.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.45 110.907 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.7 p -113.62 133.45 59.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 61.22 111.124 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -122.1 94.48 4.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.846 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.5 HG21 ' OD1' ' A' ' 19' ' ' ASN . 61.7 mt -60.56 138.88 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 72.51 111.085 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -148.96 143.21 26.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 70.14 110.905 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -126.09 126.19 43.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 72.2 110.893 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.877 HD11 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -142.72 168.35 13.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 53.02 111.114 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 mtpp -74.71 156.61 36.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 72.23 110.902 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.536 HD13 ' HB1' ' A' ' 7' ' ' ALA . 34.8 mm -49.23 -34.3 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 71.4 111.164 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.1 t -69.6 -38.1 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 74.43 111.175 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -67.11 -29.12 68.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.21 110.901 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.877 HG22 HD11 ' A' ' 38' ' ' ILE . 88.7 t -64.6 -29.08 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.103 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.686 -0.769 . . . . 51.55 112.497 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.41 30.93 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.68 2.253 . . . . 65.31 112.375 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.803 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.5 m-85 -93.05 34.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 52.23 110.897 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -90.46 -38.05 13.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 52.03 110.901 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -78.33 -59.38 2.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 74.35 110.886 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -52.05 -51.13 59.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.211 -0.45 . . . . 61.14 111.136 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.46 134.41 53.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 54.2 111.122 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -87.98 -62.51 1.48 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.876 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.56 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -107.79 147.65 30.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.922 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.56 ' H ' HD13 ' A' ' 52' ' ' LEU . 27.0 tp -140.19 132.82 28.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 73.4 110.925 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.613 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.7 t -119.76 114.89 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 62.21 111.101 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 t -128.46 144.93 51.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 53.13 111.141 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.673 HG22 ' HB3' ' A' ' 70' ' ' ALA . 38.6 p -78.11 -35.75 48.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 62.32 111.151 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.12 -176.78 3.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 61.31 111.092 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.6 mmm -127.8 168.04 15.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 73.21 110.849 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.43 HG22 ' CE1' ' A' ' 63' ' ' TYR . 14.5 t -139.3 173.77 11.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 72.41 111.13 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -86.61 -35.79 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.13 110.924 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -51.78 159.94 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.04 110.912 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -102.19 107.67 18.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 74.31 110.904 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CD1' HG21 ' A' ' 67' ' ' VAL . 60.8 m-85 -70.0 150.6 46.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 62.42 110.913 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -98.57 38.67 1.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 73.33 110.892 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -170.28 158.14 6.02 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.655 0.741 . . . . 62.12 110.878 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 82.74 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 73.25 112.37 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.506 HG21 ' CD1' ' A' ' 63' ' ' TYR . 53.2 t -57.08 145.6 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.42 111.117 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mm -124.21 115.65 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 74.42 111.121 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -52.05 138.03 26.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 74.54 110.896 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.673 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -94.78 35.6 1.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 41.31 111.09 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -71.95 -36.99 70.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 62.53 110.876 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.44 -33.47 71.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 72.41 110.905 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.752 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 52.1 m-85 -90.61 45.38 1.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.0 110.882 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.413 ' C ' HD23 ' A' ' 74' ' ' LEU . 10.3 tt -80.51 -35.85 34.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 74.44 110.871 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.9 t -121.61 -37.19 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 60.31 111.138 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.73 54.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.746 -0.74 . . . . 75.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.2 mt -140.21 -71.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 44.15 111.124 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -71.35 81.57 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.777 -0.725 . . . . 43.33 112.476 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.752 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 85.7 mt -105.33 -41.22 6.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 52.41 111.185 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -51.6 -33.64 33.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 75.24 110.904 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.99 -63.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 72.31 110.885 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.532 HG22 ' CD1' ' A' ' 86' ' ' ILE . 27.9 m -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 70.53 111.144 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -51.03 -40.83 59.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 62.34 110.948 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -63.07 -34.91 78.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 75.35 110.907 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -68.09 -49.07 63.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.955 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.532 ' CD1' HG22 ' A' ' 82' ' ' THR . 3.8 mt -68.67 -48.5 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 53.43 111.091 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.3 tp -51.88 -32.07 30.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.5 m -49.52 -31.54 10.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.147 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -114.36 -31.61 6.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 74.21 110.835 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -50.21 -44.44 53.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 55.52 110.935 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -122.27 -35.0 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.35 110.933 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 65.21 110.91 179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 ptt? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.855 0.359 . . . . 71.21 110.837 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -104.16 87.47 2.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.904 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.45 127.76 33.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 64.44 110.967 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' ' 52' ' ' LEU . 61.8 t -137.02 139.17 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 50.21 111.154 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 46' ' ' TYR . 41.9 mt -95.62 174.28 7.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.953 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.9 t -149.9 109.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.02 111.16 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -126.88 -179.86 5.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 61.54 111.065 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.0 t -175.35 116.86 0.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 72.04 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.49 84.31 1.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 61.3 112.499 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -159.77 148.38 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 35.33 111.064 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -93.17 -38.8 5.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 72.43 112.464 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -75.67 -61.55 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.365 . . . . 74.51 111.115 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.62 167.09 6.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 44.31 111.095 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 50.4 p -131.48 168.14 18.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 72.11 111.127 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.3 57.32 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 55.43 110.888 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.51 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.7 OUTLIER -126.4 -42.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 74.43 111.156 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.5 t -54.4 -42.37 58.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.138 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 73' ' ' PHE . 20.7 t -60.07 -59.08 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.31 111.129 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.665 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.5 t30 -57.48 -44.01 84.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 73.51 110.877 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.51 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.1 m-80 -58.61 -31.91 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 64.51 110.891 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.59 -55.66 4.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 70.42 111.081 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.64 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 49.3 mm -55.79 -49.16 76.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 42.03 111.127 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -51.08 -33.03 24.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.921 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -76.07 -39.55 55.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 65.44 110.867 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmt -68.59 -47.91 65.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 73.13 110.9 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.45 -35.16 38.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.13 111.072 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -64.08 -37.52 87.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 44.54 110.941 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -69.68 -35.55 75.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 62.35 110.871 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -79.63 -30.06 41.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 63.1 110.854 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 65.14 43.31 3.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 74.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 mt -96.91 150.44 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.32 111.109 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtpp -76.06 67.36 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 64.42 110.861 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -118.47 143.14 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 64.52 111.139 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -120.52 126.34 50.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.896 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.665 HG21 ' OD1' ' A' ' 19' ' ' ASN . 61.6 mt -91.35 145.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 64.32 111.127 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.577 ' HB3' HD23 ' A' ' 5' ' ' LEU . 3.1 mttp -140.61 136.57 32.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.44 110.926 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -113.17 128.61 56.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.631 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.2 173.09 5.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.54 111.163 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -83.06 162.01 21.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 42.22 110.877 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.9 tp -54.02 -37.91 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 72.4 111.15 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.5 t -95.16 29.6 2.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 75.33 111.164 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -120.28 -21.56 6.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.916 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.675 HG21 HD22 ' A' ' 53' ' ' LEU . 6.4 p -68.02 -24.03 29.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.5 . . . . 71.42 111.148 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -67.35 1.37 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 71.14 112.471 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 -21.46 33.86 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.734 2.289 . . . . 65.51 112.351 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.74 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.0 m-85 -92.1 38.07 0.99 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 51.13 110.923 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -95.41 -35.45 11.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.21 110.863 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -75.43 -65.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 73.32 110.844 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.44 -43.29 62.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 65.43 111.123 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -76.25 147.27 38.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 71.45 111.118 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.03 -58.75 1.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 74.12 110.906 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.676 HD11 ' OE2' ' A' ' 89' ' ' GLU . 4.6 mm? -106.23 156.07 18.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 62.14 110.879 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 43' ' ' VAL . 21.7 tp -143.11 135.58 27.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 73.22 110.923 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.456 ' CG1' ' HB2' ' A' ' 70' ' ' ALA . 25.1 t -120.09 127.28 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 72.22 111.118 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -156.39 141.37 17.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 55.41 111.161 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.51 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 20.3 p -93.94 40.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 51.22 111.139 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -171.22 129.64 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 51.11 111.056 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 ttp -89.59 145.64 25.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.906 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.6 t -118.51 170.65 8.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.01 111.155 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -88.68 64.44 7.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 54.32 110.871 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -144.94 159.45 42.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 71.43 110.882 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -96.12 90.08 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 55.11 110.939 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.461 ' CD1' HG21 ' A' ' 67' ' ' VAL . 42.7 m-85 -66.36 149.35 50.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.892 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt -104.68 35.79 2.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 64.54 110.912 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -166.15 157.82 11.9 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.619 0.723 . . . . 72.32 110.863 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 80.45 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.631 2.221 . . . . 65.35 112.338 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 63' ' ' TYR . 44.6 t -51.85 147.33 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 75.32 111.162 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.474 HG21 HD11 ' A' ' 86' ' ' ILE . 48.3 mm -125.85 143.68 38.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 75.24 111.138 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -92.89 134.19 35.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.933 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 73' ' ' PHE . . . -102.08 35.24 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 55.24 111.089 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -56.52 -35.67 68.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.43 110.869 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -74.31 -33.88 63.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 75.42 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.723 ' HB3' HG22 ' A' ' 18' ' ' VAL . 46.5 m-85 -63.23 -28.0 69.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.45 110.918 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.74 -35.14 21.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 74.55 110.929 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 t -99.48 -32.0 11.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 72.34 111.111 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.63 54.32 2.69 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 35.53 112.434 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.5 mt -147.1 -41.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 71.42 111.104 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.06 81.53 1.67 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.723 -0.751 . . . . 74.32 112.445 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.487 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 7.0 mt -125.89 27.43 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 71.35 111.173 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -123.19 -35.77 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 75.21 110.916 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -76.09 -34.01 59.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.674 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -88.83 -43.02 11.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 75.33 111.113 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.579 ' HD3' HD12 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -51.16 -48.81 61.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 62.22 110.859 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -51.8 -45.58 63.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 60.02 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 -52.61 -47.64 66.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.5 110.858 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.674 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -72.11 -52.8 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 55.13 111.13 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.502 HD11 ' HG2' ' A' ' 91' ' ' GLN . 32.4 tp -51.37 -27.27 9.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 75.01 110.895 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 64.6 m -48.51 -34.61 11.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 73.03 111.152 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.676 ' OE2' HD11 ' A' ' 52' ' ' LEU . 7.0 pt-20 -100.37 -34.37 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.41 110.893 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HB2' HD12 ' A' ' 87' ' ' LEU . 69.8 mt -51.88 -47.71 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 75.5 110.866 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.502 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.9 pp0? -121.6 33.29 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 75.13 110.876 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.9 ttmt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 73.3 110.919 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.849 0.357 . . . . 70.34 110.897 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -134.17 117.3 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 72.41 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -98.07 116.53 30.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.426 . . . . 71.41 110.9 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.61 HG22 ' HB2' ' A' ' 52' ' ' LEU . 48.6 t -131.31 121.3 48.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 64.31 111.079 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.579 ' HB2' HD13 ' A' ' 53' ' ' LEU . 4.5 mp -91.25 -176.78 4.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 34.31 110.918 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.8 t -150.16 109.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 74.43 111.115 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.95 115.06 29.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 44.4 111.089 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -96.55 165.04 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 54.35 110.889 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.675 ' HA3' ' HB2' ' A' ' 57' ' ' ALA . . . -127.48 -33.83 0.6 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.755 -0.735 . . . . 52.23 112.467 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.56 167.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 60.53 111.142 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' O ' HD13 ' A' ' 12' ' ' ILE . . . -77.28 61.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 43.53 112.45 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.595 HG22 ' H ' ' A' ' 14' ' ' THR . 45.3 mm -124.33 142.76 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 73.31 111.138 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.71 -37.43 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 60.24 111.147 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.595 ' H ' HG22 ' A' ' 12' ' ' ILE . 5.3 t -178.16 143.84 0.31 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 73.11 111.147 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -52.15 117.31 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 71.54 110.831 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 -55.01 2.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.31 111.182 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.4 t -54.6 -58.53 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 72.25 111.106 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.791 HG13 ' CE2' ' A' ' 73' ' ' PHE . 64.5 t -51.71 -60.1 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 74.51 111.133 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.436 HD22 HG21 ' A' ' 35' ' ' ILE . 1.8 t-20 -51.03 -57.18 9.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 60.3 110.866 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.35 -34.25 33.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.44 110.877 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.71 -43.16 63.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 23.24 111.092 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.625 HG23 ' HE3' ' A' ' 83' ' ' LYS . 47.9 mm -67.74 -52.67 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.3 111.15 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -51.31 -34.95 35.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 71.02 110.924 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -72.26 -43.44 64.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 71.21 110.857 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.5 mtt -65.94 -50.45 64.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 74.14 110.865 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.48 -35.34 39.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 55.22 111.134 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -63.85 -43.68 95.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.892 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -59.24 -35.95 74.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.928 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -82.88 -29.69 29.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.868 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 65.21 45.45 2.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 71.2 110.884 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.8 mt -96.98 150.68 4.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 75.35 111.111 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.42 66.41 2.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 51.43 110.915 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.76 135.36 60.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.166 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -99.38 -178.29 3.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 43.21 110.885 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.436 HG21 HD22 ' A' ' 19' ' ' ASN . 38.5 mt -144.75 111.11 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 55.25 111.151 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -99.98 152.2 20.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.885 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -134.86 107.65 7.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 43.52 110.894 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.0 OUTLIER -142.35 174.35 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.436 . . . . 65.13 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.48 163.44 13.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 73.54 110.929 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.719 ' O ' HG12 ' A' ' 43' ' ' VAL . 7.7 tp -52.94 -29.73 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.52 111.127 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.9 -27.42 30.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.13 111.174 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -95.04 26.83 3.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 52.03 110.882 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.719 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.4 p -120.88 22.51 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 75.31 111.132 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.6 -67.2 2.08 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.745 -0.741 . . . . 65.42 112.514 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -19.64 35.84 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.698 2.266 . . . . 64.31 112.33 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.471 ' HB3' HD21 ' A' ' 5' ' ' LEU . 35.3 m-85 -92.9 37.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 75.13 110.915 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -105.44 -47.47 3.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.075 -0.511 . . . . 75.14 110.844 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -92.13 -41.0 10.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 65.05 110.867 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.2 p -54.34 -57.42 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 74.11 111.116 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.423 ' HB2' HD11 ' A' ' 5' ' ' LEU . . . -56.8 179.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 74.25 111.08 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.736 ' O ' HD22 ' A' ' 52' ' ' LEU . 11.4 m-20 -116.52 -41.39 3.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 75.1 110.882 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.736 HD22 ' O ' ' A' ' 51' ' ' ASP . 3.4 mm? -135.47 169.06 18.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 43.42 110.902 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.579 HD13 ' HB2' ' A' ' 5' ' ' LEU . 29.4 tp -157.01 115.9 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 63.22 110.897 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 83.1 t -94.91 121.22 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 72.32 111.179 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.8 t -146.27 156.82 43.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.124 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.412 ' HB ' ' HB3' ' A' ' 70' ' ' ALA . 1.7 t -116.61 -33.05 4.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 74.35 111.121 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.675 ' HB2' ' HA3' ' A' ' 9' ' ' GLY . . . -60.59 -174.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 65.34 111.115 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.1 tpt -99.22 163.6 12.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.849 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.586 HG21 ' CZ ' ' A' ' 63' ' ' TYR . 1.8 m -160.04 147.12 16.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 73.44 111.186 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -108.0 -36.02 6.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 74.51 110.887 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 140.38 24.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.854 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -76.14 99.97 4.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 62.04 110.889 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.586 ' CZ ' HG21 ' A' ' 59' ' ' THR . 40.3 m-85 -65.99 143.51 57.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.94 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -98.86 36.42 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 75.24 110.911 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' HE2' HG22 ' A' ' 67' ' ' VAL . 1.2 p90 -164.41 157.92 15.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.669 0.747 . . . . 74.44 110.868 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.51 ' HG2' HD11 ' A' ' 52' ' ' LEU . 54.1 Cg_endo -69.78 79.92 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.71 2.273 . . . . 73.41 112.357 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.413 HG21 ' CD1' ' A' ' 63' ' ' TYR . 48.0 t -51.6 146.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 62.21 111.118 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.507 HG21 HD11 ' A' ' 86' ' ' ILE . 26.5 mm -119.27 105.02 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 70.41 111.159 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -55.69 126.13 24.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 64.24 110.931 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' A' ' 56' ' ' THR . . . -99.32 37.65 1.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 72.34 111.089 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -62.28 -38.29 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 75.14 110.894 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -60.15 -37.99 81.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 73.42 110.884 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.791 ' CE2' HG13 ' A' ' 18' ' ' VAL . 72.0 m-85 -60.4 -35.97 77.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 72.22 110.901 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.2 tp -84.84 -35.57 22.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 73.34 110.904 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 75' ' ' THR . 2.6 t -153.0 110.17 3.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 53.53 111.151 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.95 -42.09 0.98 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 55.21 112.467 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.3 mp 54.89 63.34 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 75.32 111.162 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -146.74 47.34 0.7 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.775 -0.726 . . . . 74.42 112.518 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 62.8 mt -56.96 -35.06 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.791 0.329 . . . . 63.34 111.131 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -51.83 -35.74 45.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 73.22 110.925 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -79.41 -41.99 26.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.485 . . . . 71.13 110.919 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.5 m -61.42 -51.53 68.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 73.53 111.122 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.625 ' HE3' HG23 ' A' ' 22' ' ' ILE . 8.6 tptm -51.81 -34.91 42.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 72.22 110.888 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.22 -34.26 76.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.928 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 40.5 mm-40 -71.98 -49.84 33.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 74.24 110.889 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.705 HD12 ' O ' ' A' ' 82' ' ' THR . 3.0 mp -65.32 -45.37 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 70.13 111.122 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.503 HD11 ' HG2' ' A' ' 91' ' ' GLN . 11.8 tp -56.99 -21.28 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 72.5 110.918 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 46.2 m -61.98 -16.05 48.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 71.45 111.15 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -123.05 -33.99 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.3 110.906 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.628 ' HG ' HG22 ' A' ' 86' ' ' ILE . 59.7 mt -49.96 -70.5 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.925 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.503 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.8 pp0? -93.28 33.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 64.51 110.92 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.882 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mtt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 72.22 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -109.39 87.31 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 73.44 110.894 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.72 104.01 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 74.54 110.914 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.646 HG22 ' HB2' ' A' ' 52' ' ' LEU . 57.3 t -115.04 112.47 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 71.53 111.183 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.496 HD13 ' CB ' ' A' ' 50' ' ' ALA . 11.1 mp -82.36 173.74 11.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 64.21 110.883 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 65.7 t -149.33 115.11 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 75.34 111.165 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 40' ' ' ILE . . . -136.05 78.82 1.74 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.098 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.7 t -51.96 -63.39 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.4 110.871 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.56 -54.12 4.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 22.5 112.522 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.72 130.51 28.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 73.24 111.097 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.17 -80.92 0.59 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.742 -0.742 . . . . 74.03 112.465 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.819 HG22 HG22 ' A' ' 14' ' ' THR . 3.9 mp -122.39 131.39 73.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.809 0.337 . . . . 62.4 111.123 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.7 71.2 2.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 72.3 111.093 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.819 HG22 HG22 ' A' ' 12' ' ' ILE . 9.9 t -176.45 130.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.177 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.6 p -110.61 118.71 36.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.424 . . . . 71.44 110.895 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.594 HG22 ' OD1' ' A' ' 20' ' ' ASN . 5.8 m -122.21 -64.17 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 74.32 111.085 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.3 t -50.38 -41.77 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 74.33 111.13 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.778 HG22 ' HB3' ' A' ' 73' ' ' PHE . 21.8 t -58.85 -55.37 23.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 70.23 111.154 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -58.61 -55.36 36.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 73.14 110.901 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.594 ' OD1' HG22 ' A' ' 16' ' ' THR . 5.7 m120 -52.17 -29.27 21.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 73.44 110.845 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.72 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -81.37 -61.11 2.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 60.22 111.099 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.611 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 47.6 mm -52.48 -49.07 45.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 74.31 111.156 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -50.8 -33.16 22.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.909 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -77.67 -37.24 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 73.12 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -70.75 -54.17 12.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 65.11 110.892 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.5 31.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 64.43 111.062 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -63.49 -44.72 93.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 73.13 110.893 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -56.24 -35.67 67.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 60.11 110.9 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -85.56 -28.0 25.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 65.63 49.73 1.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 63.55 110.827 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 32' ' ' LYS . 17.0 mt -103.82 158.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.52 111.105 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.78 75.29 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 45.45 110.882 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -115.52 129.18 72.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 64.33 111.139 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -114.23 76.67 1.0 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 74.25 110.855 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 22' ' ' ILE . 83.9 mt -51.81 142.59 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 74.44 111.139 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.18 146.2 29.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 75.12 110.921 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -132.33 127.9 36.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 60.45 110.912 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.581 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -145.0 -176.71 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 74.05 111.145 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -79.22 153.57 29.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 71.24 110.911 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 43' ' ' VAL . 9.6 tp -50.01 -30.56 6.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.129 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.2 p -86.63 -32.57 20.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 74.03 111.095 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -56.79 -27.09 59.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 73.52 110.935 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.5 p -64.46 -27.47 42.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 44.14 111.145 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.57 -68.15 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 53.53 112.469 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -22.86 31.32 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.703 2.269 . . . . 74.12 112.326 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.437 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 16.9 m-85 -92.95 35.54 1.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.879 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -93.18 -40.69 10.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 53.42 110.902 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -71.98 -62.18 1.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 73.4 110.845 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 64.1 p -51.82 -46.65 64.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 64.41 111.161 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.496 ' CB ' HD13 ' A' ' 5' ' ' LEU . . . -74.13 148.81 41.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.24 111.118 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -103.75 -58.39 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 70.35 110.887 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.646 ' HB2' HG22 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -103.16 157.93 16.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.23 110.916 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.556 ' CD2' HG21 ' A' ' 43' ' ' VAL . 25.8 tp -152.77 134.35 14.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 43.51 110.888 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.9 t -121.28 119.77 60.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 31.41 111.13 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 t -147.42 131.0 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 71.2 111.151 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.431 HG22 ' C ' ' A' ' 70' ' ' ALA . 20.3 p -70.82 -42.63 69.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 64.52 111.16 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.14 -178.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.443 . . . . 53.22 111.084 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -133.74 174.44 10.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.902 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 14.5 t -175.35 173.92 2.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 50.24 111.104 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 tptp -51.87 149.93 4.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 54.22 110.943 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.92 84.2 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 62.3 110.879 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -142.89 36.56 1.41 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 72.35 110.884 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.597 ' CD1' HG21 ' A' ' 67' ' ' VAL . 18.8 m-85 -100.61 145.08 28.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 75.11 110.944 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -103.62 35.89 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 72.23 110.879 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -172.49 158.26 3.84 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.653 0.739 . . . . 62.13 110.859 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 88.14 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.713 2.276 . . . . 73.3 112.309 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.597 HG21 ' CD1' ' A' ' 63' ' ' TYR . 48.2 t -67.0 146.69 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 74.42 111.125 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.69 HD13 ' CG1' ' A' ' 86' ' ' ILE . 5.0 mt -129.97 135.7 60.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 74.53 111.154 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -76.79 140.54 40.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 63.11 110.884 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -105.83 35.19 2.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 64.41 111.094 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -58.29 -35.78 72.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 54.22 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -67.26 -17.56 64.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 61.34 110.909 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.778 ' HB3' HG22 ' A' ' 18' ' ' VAL . 80.6 m-85 -91.14 37.41 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 72.3 110.888 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.3 tp -112.9 -34.8 5.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 74.01 110.888 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.3 p -93.11 -35.19 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.25 111.162 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 118.74 -30.29 5.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.76 -0.733 . . . . 44.13 112.494 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.2 mm -105.48 151.77 7.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.857 0.36 . . . . 75.05 111.163 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 93.95 21.61 27.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 75.44 112.491 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.722 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 98.8 mt -68.89 -35.47 69.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.787 0.327 . . . . 72.54 111.128 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -68.12 -35.54 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 55.33 110.895 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 58.3 mm-40 -51.67 -36.12 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 75.25 110.877 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.649 ' O ' HD12 ' A' ' 86' ' ' ILE . 6.9 m -99.54 -35.15 9.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 62.12 111.163 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HE3' HG23 ' A' ' 22' ' ' ILE . 6.5 tptm -51.71 -35.92 44.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 63.43 110.919 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -59.87 -46.0 90.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 74.45 110.916 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.1 mm-40 -56.19 -51.54 67.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 75.43 110.917 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.789 HG22 HD13 ' A' ' 90' ' ' LEU . 2.8 mp -64.92 -50.74 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.33 111.154 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.5 tp -52.35 -41.7 63.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.897 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.0 m -54.53 -25.92 28.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 75.31 111.137 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -99.5 -38.41 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.908 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.789 HD13 HG22 ' A' ' 86' ' ' ILE . 2.3 mp -51.03 -70.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.932 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -77.79 -36.93 49.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.54 110.916 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.3 ttpt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 72.42 110.92 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.836 0.35 . . . . 65.12 110.922 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.603 ' O ' HG23 ' A' ' 4' ' ' VAL . 28.1 mmmt -122.43 81.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 42.31 110.887 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -61.51 101.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 73.34 110.899 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 2' ' ' LYS . 23.1 t -109.32 141.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 62.34 111.106 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.739 HD11 ' HB3' ' A' ' 46' ' ' TYR . 47.2 mt -95.04 174.36 7.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.885 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.9 t -150.12 89.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 71.14 111.155 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.68 106.66 15.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 43.23 111.09 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 82.9 m -95.35 153.13 17.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.932 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.1 84.46 0.71 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.734 -0.746 . . . . 63.44 112.48 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' HB1' ' HB3' ' A' ' 13' ' ' ALA . . . -122.18 -48.83 2.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.344 . . . . 62.13 111.096 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.19 -54.73 3.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.721 -0.752 . . . . 54.21 112.453 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.3 mm -104.78 -46.07 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 74.24 111.119 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . . . -64.99 179.65 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 71.0 111.118 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 m -122.61 142.97 50.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 72.21 111.147 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 78.4 p -88.91 70.02 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 51.0 110.838 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.516 HG22 ' ND2' ' A' ' 20' ' ' ASN . 2.6 m -101.48 -41.07 6.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 35.22 111.176 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.1 t -52.38 -55.58 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.135 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.796 HG13 ' CE2' ' A' ' 73' ' ' PHE . 90.1 t -51.66 -62.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 54.4 111.168 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -50.29 -53.88 25.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.894 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.4 m-80 -56.43 -26.36 53.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 65.24 110.894 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.44 -34.35 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 74.51 111.063 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.496 HD12 ' HZ2' ' A' ' 83' ' ' LYS . 46.4 mm -76.48 -40.23 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.142 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -62.8 -42.81 99.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.905 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.17 -34.95 78.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.12 110.893 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.8 -53.61 9.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.911 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.63 33.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.35 111.105 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.59 -43.61 80.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 54.14 110.885 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.25 -35.71 74.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.3 110.863 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -84.57 -29.83 25.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.84 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 65.22 46.23 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 65.24 110.879 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mt -95.62 151.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 65.34 111.111 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.02 67.19 2.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.929 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.71 136.86 59.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 44.22 111.124 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.43 121.89 46.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.873 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.9 mt -83.1 145.97 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 74.22 111.132 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.57 ' HB3' HD23 ' A' ' 5' ' ' LEU . 4.9 mttp -147.24 134.19 20.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 65.41 110.912 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -119.16 130.61 55.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.43 110.904 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.57 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.25 178.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.123 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.78 164.45 15.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 73.13 110.885 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 41' ' ' THR . 6.3 tp -55.55 -32.45 30.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 74.32 111.126 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.581 HG23 HG23 ' A' ' 40' ' ' ILE . 58.8 p -95.01 28.34 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.44 111.173 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.97 -28.36 3.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.569 HG23 HD12 ' A' ' 5' ' ' LEU . 8.0 p -67.02 -25.18 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 75.21 111.158 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -67.42 1.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.758 -0.734 . . . . 51.23 112.477 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -21.4 33.47 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.684 2.256 . . . . 64.04 112.323 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.739 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.2 m-85 -92.05 37.18 0.98 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.266 -0.425 . . . . 72.13 110.935 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -96.15 -36.15 11.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 74.24 110.896 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.11 -52.65 9.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 71.22 110.848 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.5 p -62.83 -50.65 70.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 71.1 111.155 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -68.04 128.76 37.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 43.43 111.069 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -74.33 -64.52 1.0 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 64.41 110.872 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.3 mm? -103.03 170.71 7.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 73.12 110.923 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.549 ' CD2' HG21 ' A' ' 43' ' ' VAL . 38.5 tp -154.29 123.47 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 64.22 110.901 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.447 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.8 t -118.11 110.26 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.14 111.123 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 t -134.0 146.19 50.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 73.0 111.14 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 60.0 p -57.61 -47.84 81.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 75.32 111.165 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.43 163.6 14.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 73.22 111.087 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.36 -177.69 3.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 31.34 110.886 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 29.4 p -115.58 -172.93 2.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 73.23 111.118 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -97.05 -36.07 10.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 73.43 110.92 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -64.34 -173.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 64.51 110.887 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -109.3 97.68 7.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.227 -0.442 . . . . 74.42 110.866 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.518 ' CD1' HG21 ' A' ' 67' ' ' VAL . 6.4 m-85 -54.94 158.28 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.485 . . . . 73.54 110.925 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -111.46 37.15 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 62.52 110.914 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.32 158.3 4.92 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.652 0.739 . . . . 63.15 110.868 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 88.62 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.648 2.232 . . . . 74.52 112.357 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 63' ' ' TYR . 76.3 t -69.36 144.49 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 73.43 111.124 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.13 112.94 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 71.53 111.14 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -51.92 132.49 32.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 75.3 110.915 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.05 35.57 1.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 53.42 111.088 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.661 ' O ' HG23 ' A' ' 75' ' ' THR . 21.2 mmm180 -74.55 -35.2 63.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 74.3 110.854 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -55.17 -34.53 63.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.14 110.904 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.796 ' CE2' HG13 ' A' ' 18' ' ' VAL . 67.2 m-85 -63.32 -20.24 65.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 73.21 110.873 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 5.0 mp -105.02 -35.09 7.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 51.41 110.919 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.661 HG23 ' O ' ' A' ' 71' ' ' ARG . 59.1 p -50.88 -46.07 60.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.4 111.147 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 169.78 36.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.734 -0.746 . . . . 60.01 112.502 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.6 mt 64.56 57.31 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 74.23 111.152 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.72 47.7 1.87 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 73.51 112.445 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 23.8 mt -80.17 -34.05 14.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.793 0.33 . . . . 50.51 111.139 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -51.9 -34.97 43.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 43.35 110.887 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -94.29 -51.6 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 61.44 110.889 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 96.8 m -51.33 -47.89 62.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 72.11 111.164 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' HZ2' HD12 ' A' ' 22' ' ' ILE . 15.1 tptt -52.08 -34.03 41.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 54.21 110.884 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -59.29 -35.37 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 75.15 110.916 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -66.87 -48.75 67.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.926 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -67.73 -48.5 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 65.32 111.119 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.5 tp -52.42 -32.53 39.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 63.15 110.896 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.516 HG23 ' NZ ' ' A' ' 92' ' ' LYS . 96.5 m -49.61 -31.23 10.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 44.23 111.136 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -113.83 -31.38 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.04 110.844 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.8 tp -50.32 -44.52 54.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.914 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.96 -35.71 3.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 70.5 110.925 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.516 ' NZ ' HG23 ' A' ' 88' ' ' THR . 16.3 ttpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 75.44 110.922 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 mtm . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 74.41 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' HB3' HD22 ' A' ' 90' ' ' LEU . 27.3 mmmt -88.26 102.84 15.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.942 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -80.14 110.4 15.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 75.32 110.904 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 52' ' ' LEU . 88.1 t -122.25 132.26 71.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 74.13 111.131 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.696 HD23 HD12 ' A' ' 38' ' ' ILE . 4.9 mp -114.4 176.88 4.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 52.23 110.912 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.6 t -148.46 104.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 54.5 111.13 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.39 99.64 8.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.125 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.6 t -109.72 111.1 22.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 62.03 110.848 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.36 41.32 2.23 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 32.25 112.48 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.33 -64.12 1.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 62.43 111.097 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -177.86 -46.82 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.752 -0.737 . . . . 71.02 112.475 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.687 HG23 HG23 ' A' ' 14' ' ' THR . 10.8 tp -126.3 149.32 31.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 75.32 111.112 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.7 103.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 73.51 111.097 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.687 HG23 HG23 ' A' ' 12' ' ' ILE . 19.9 p -139.16 38.04 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 70.5 111.12 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.9 p -104.87 36.68 2.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 73.44 110.823 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.55 -58.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 63.23 111.148 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.1 t -51.36 -43.11 29.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 61.02 111.169 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 73' ' ' PHE . 41.5 t -58.68 -66.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 62.41 111.14 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.613 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.8 t30 -51.3 -45.12 62.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.855 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -61.37 -35.02 76.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.862 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.02 -44.24 49.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.238 -0.437 . . . . 70.11 111.097 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.705 HD12 ' HD3' ' A' ' 83' ' ' LYS . 50.8 mm -66.91 -52.0 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.3 111.07 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -51.42 -33.8 32.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 74.11 110.891 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -72.97 -36.2 67.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 72.05 110.86 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.0 mmm -71.87 -51.91 19.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 72.41 110.893 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.39 -38.91 55.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 71.54 111.066 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -61.26 -48.02 83.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 73.24 110.881 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -52.19 -36.13 51.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 71.13 110.874 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -84.38 -25.14 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 74.21 110.821 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 66.08 51.71 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 70.15 110.889 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 49.8 mt -112.77 148.35 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 54.32 111.165 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.8 mtmt -73.67 74.94 1.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.879 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.8 t -107.28 119.52 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.24 111.146 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -89.56 107.57 19.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 75.33 110.871 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.613 HG21 ' OD1' ' A' ' 19' ' ' ASN . 80.8 mt -89.35 124.18 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.151 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.7 ttmm -125.12 163.21 22.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 71.15 110.928 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -146.07 106.45 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 62.24 110.931 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.696 HD12 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -141.96 175.6 4.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 72.55 111.101 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.9 mttm -97.45 163.69 12.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 71.44 110.865 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.73 ' O ' HG12 ' A' ' 43' ' ' VAL . 3.0 mp -53.5 -29.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 74.33 111.108 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -78.54 -28.7 46.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 63.43 111.138 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -101.38 28.62 5.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 70.33 110.884 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.73 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.0 p -118.28 21.84 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 63.21 111.152 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.88 -67.2 2.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 73.32 112.469 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -19.66 35.93 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 62.51 112.334 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -93.42 36.75 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 73.22 110.909 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.04 -48.68 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 62.55 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -95.07 -35.86 11.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 75.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.6 p -62.41 -50.8 70.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 64.41 111.136 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' HB2' ' CD1' ' A' ' 5' ' ' LEU . . . -51.46 169.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.5 111.105 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.63 -35.85 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.21 110.869 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.603 ' O ' HG13 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -150.9 132.31 14.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 62.15 110.912 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.497 HD12 ' H ' ' A' ' 54' ' ' VAL . 28.9 tp -112.53 146.02 39.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 65.14 110.94 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.497 ' H ' HD12 ' A' ' 53' ' ' LEU . 95.3 t -126.49 105.89 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 63.13 111.126 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.2 t -128.94 154.65 46.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 72.0 111.146 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 26.4 p -102.26 -36.13 8.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 70.33 111.159 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.53 -169.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 31.15 111.099 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.2 mpp? -114.01 176.18 5.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 72.03 110.878 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 m -161.2 157.67 26.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 62.31 111.1 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 42.9 mmtt -78.02 59.68 2.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 74.51 110.933 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt 39.35 41.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.877 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -101.97 41.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 75.53 110.91 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.647 ' CD1' HG21 ' A' ' 67' ' ' VAL . 20.8 m-85 -124.52 130.84 53.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.504 . . . . 72.15 110.918 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -95.83 35.61 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 71.22 110.889 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -161.94 158.28 21.23 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.603 0.716 . . . . 72.21 110.881 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 80.84 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.701 2.268 . . . . 63.45 112.331 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.647 HG21 ' CD1' ' A' ' 63' ' ' TYR . 96.3 t -51.67 144.12 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 31.32 111.125 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.869 HG21 HD11 ' A' ' 86' ' ' ILE . 44.7 mm -120.31 111.94 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 63.42 111.139 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.83 128.81 37.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.11 110.927 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -106.31 35.21 3.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 63.53 111.078 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 mtm180 -57.46 -35.5 70.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.842 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -57.85 -41.11 81.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.881 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.587 ' CZ ' HD11 ' A' ' 22' ' ' ILE . 60.5 m-85 -54.49 -35.11 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 72.42 110.92 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -88.8 -34.86 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 75.44 110.912 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.4 t -154.61 111.86 3.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 75.52 111.133 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.02 -35.9 1.45 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 63.41 112.481 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.1 mt 51.82 66.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 63.33 111.127 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -152.73 45.12 0.6 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.762 . . . . 75.54 112.48 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.571 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.2 mt -57.27 -35.03 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.796 0.331 . . . . 73.45 111.112 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -53.3 -34.9 59.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.21 110.894 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -73.81 -50.9 18.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 61.13 110.892 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.694 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -61.97 -59.42 5.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.144 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.705 ' HD3' HD12 ' A' ' 22' ' ' ILE . 7.0 mmmt -51.84 -34.21 39.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 64.4 110.89 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -56.42 -35.37 67.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 72.21 110.927 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 68.4 mm-40 -81.34 -51.61 8.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.911 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.869 HD11 HG21 ' A' ' 68' ' ' ILE . 2.7 mp -56.11 -37.27 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 73.44 111.136 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -69.98 -32.72 71.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.898 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.9 m -61.69 -26.04 67.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.164 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.45 -35.34 8.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 72.11 110.858 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.404 HD22 ' HB3' ' A' ' 2' ' ' LYS . 13.6 mt -50.66 -70.67 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 60.42 110.959 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.18 -37.02 34.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.884 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 75.24 110.884 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.4 mtt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.789 0.328 . . . . 72.22 110.914 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.602 ' O ' HG23 ' A' ' 4' ' ' VAL . 13.9 mmmt -98.9 77.5 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 70.51 110.886 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -51.87 110.59 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 64.21 110.917 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 52' ' ' LEU . 75.6 t -117.94 109.99 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 52.31 111.119 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.72 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.8 mm? -87.19 169.82 12.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.15 110.935 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.8 t -149.36 108.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 73.24 111.099 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.5 103.82 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 55.03 111.1 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.77 169.07 17.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 60.32 110.907 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.82 -98.96 2.45 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 74.32 112.491 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.17 -174.97 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.345 . . . . 51.13 111.094 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.26 141.52 12.0 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 71.25 112.447 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 16.7 tt -71.85 -35.43 54.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.814 0.34 . . . . 74.1 111.12 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -83.89 167.39 17.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 64.04 111.094 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.6 p -102.58 -177.82 3.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 65.24 111.108 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.4 p -96.1 36.33 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 33.32 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.1 m -78.15 -43.71 28.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 65.15 111.167 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -51.59 -49.6 33.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 73.43 111.093 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.642 HG13 ' CE2' ' A' ' 73' ' ' PHE . 99.9 t -51.04 -65.43 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 63.1 111.143 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.656 ' OD1' HG21 ' A' ' 35' ' ' ILE . 4.7 t30 -51.78 -47.01 64.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 74.33 110.872 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -51.21 -32.12 22.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.923 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.82 -46.62 11.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 41.02 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -59.31 -33.76 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 64.31 111.148 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -69.42 -22.34 63.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -80.85 -44.07 18.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 72.43 110.923 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.58 -34.48 58.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.842 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.99 -37.03 85.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 72.02 111.135 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp -74.01 -36.26 64.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 75.1 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -63.99 -39.01 93.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 71.31 110.881 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -81.07 -26.2 36.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 75.44 110.848 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 65.96 48.84 1.71 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 71.01 110.87 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.731 HD13 ' HB3' ' A' ' 91' ' ' GLN . 17.0 mt -103.62 158.04 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 62.01 111.118 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -72.67 75.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.33 110.888 179.837 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.3 t -116.33 124.85 73.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.35 111.105 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -110.21 75.5 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 72.51 110.864 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.656 HG21 ' OD1' ' A' ' 19' ' ' ASN . 72.5 mt -55.22 139.11 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 60.44 111.169 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.535 ' HB3' HD13 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -159.37 156.72 29.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 63.0 110.89 179.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -139.21 130.56 26.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.14 110.889 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.977 HD11 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -143.04 159.7 17.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 64.01 111.154 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.1 mmmt -61.27 156.79 17.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 74.41 110.932 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 tp -50.23 -40.01 17.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 52.31 111.156 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.3 t -68.38 -33.28 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 61.22 111.125 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.89 -26.29 64.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 72.21 110.893 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.977 HG22 HD11 ' A' ' 38' ' ' ILE . 95.9 t -66.31 -26.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 73.52 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.86 -66.95 1.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 55.33 112.51 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -23.39 30.82 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.657 2.238 . . . . 55.51 112.392 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -92.57 35.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 62.41 110.908 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -97.91 -43.71 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 63.04 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -69.71 -49.58 51.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 53.25 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -62.22 -50.34 72.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 71.31 111.114 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.677 ' HB2' HD23 ' A' ' 5' ' ' LEU . . . -57.26 146.24 29.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 54.12 111.09 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.66 -49.85 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.841 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 1.028 HD11 HD12 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -123.99 108.14 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 54.1 110.886 -179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 5' ' ' LEU . 48.3 tp -100.85 142.75 31.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 42.13 110.919 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 92.0 t -125.0 100.66 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.139 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.9 t -123.97 119.78 30.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 64.2 111.147 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 t -92.17 44.66 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 60.43 111.169 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.43 -175.07 4.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 51.33 111.083 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.6 ttt -62.49 141.47 58.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.874 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.578 HG22 ' CZ ' ' A' ' 63' ' ' TYR . 0.9 OUTLIER -131.58 117.15 18.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 74.12 111.135 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.2 tttm -122.04 -36.33 3.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 70.13 110.887 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.93 151.8 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.909 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -78.22 67.69 4.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 54.32 110.893 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.578 ' CZ ' HG22 ' A' ' 59' ' ' THR . 94.6 m-85 -51.99 139.88 21.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.885 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -96.34 35.71 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.098 -0.501 . . . . 74.22 110.918 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -167.21 158.32 10.26 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.676 0.75 . . . . 70.25 110.858 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.35 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.678 2.252 . . . . 65.24 112.319 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.3 t -50.62 134.83 10.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 74.22 111.152 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.028 HD12 HD11 ' A' ' 52' ' ' LEU . 88.6 mt -117.28 105.22 17.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 70.14 111.114 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -65.26 133.64 51.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.49 . . . . 74.23 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.59 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -96.1 39.64 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 71.25 111.045 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -52.51 -38.29 59.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.429 . . . . 71.43 110.836 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.406 ' CG ' ' HG1' ' A' ' 82' ' ' THR . 3.7 p-10 -61.1 -36.37 79.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.904 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.642 ' CE2' HG13 ' A' ' 18' ' ' VAL . 53.8 m-85 -65.62 -35.73 81.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 73.24 110.872 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.2 tp -82.0 -33.06 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.146 -0.479 . . . . 71.13 110.946 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 75' ' ' THR . 3.0 t -156.84 112.5 2.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 63.34 111.178 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.05 -43.01 0.88 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.765 -0.731 . . . . 74.34 112.527 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.6 mt 59.59 61.38 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.916 0.389 . . . . 73.45 111.159 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -154.3 53.37 0.44 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 65.11 112.483 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.56 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 55.8 mt -50.9 -43.07 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.826 0.346 . . . . 64.14 111.095 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -51.58 -38.58 55.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 70.4 110.91 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -60.88 -60.46 3.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 64.14 110.878 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.667 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -59.04 -40.76 86.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.113 -0.494 . . . . 70.01 111.14 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.467 ' HD3' HG22 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -50.35 -35.37 27.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.897 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -55.39 -35.05 64.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 72.45 110.942 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -84.51 -51.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.55 110.909 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.742 HG13 HD13 ' A' ' 68' ' ' ILE . 2.8 mp -53.86 -53.24 28.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.44 111.158 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -50.84 -34.44 27.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 74.42 110.893 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.1 m -53.09 -29.96 33.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.479 . . . . 71.11 111.179 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -131.98 31.4 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 54.44 110.893 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 tp -119.26 -34.83 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.04 110.936 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.731 ' HB3' HD13 ' A' ' 31' ' ' ILE . 4.1 pp0? -119.71 -28.89 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 72.34 110.926 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.874 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 ttp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 72.2 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.415 ' HE3' HD23 ' A' ' 90' ' ' LEU . 1.1 mmmp? -132.04 91.88 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 72.12 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -74.93 121.81 22.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.31 110.903 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.588 HG22 ' HB3' ' A' ' 52' ' ' LEU . 97.2 t -123.11 142.15 40.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 74.13 111.167 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.663 HD22 HD12 ' A' ' 38' ' ' ILE . 44.3 mt -98.87 169.63 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 53.22 110.902 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.43 101.51 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 74.33 111.149 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -118.52 99.26 6.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 71.12 111.103 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p -67.58 -35.12 78.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.277 -0.419 . . . . 73.12 110.906 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.2 62.62 5.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 61.45 112.509 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.3 -71.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 61.54 111.033 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.71 -65.15 0.35 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 55.31 112.482 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.6 mp -90.19 -64.14 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.879 0.371 . . . . 75.23 111.114 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.68 146.81 37.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 73.41 111.086 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.4 p -104.17 164.07 11.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.207 -0.451 . . . . 74.01 111.146 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 77.2 p -66.33 100.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 62.43 110.849 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -122.78 -50.12 1.97 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 44.32 111.127 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -52.38 -53.7 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 14.45 111.125 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.633 HG22 ' HB3' ' A' ' 73' ' ' PHE . 96.5 t -51.61 -65.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 70.33 111.109 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.447 HD22 HG21 ' A' ' 35' ' ' ILE . 1.3 t-20 -50.19 -53.64 26.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 74.23 110.872 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -51.19 -32.82 24.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 63.04 110.867 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.54 -38.8 28.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.01 111.115 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 mm -68.52 -34.13 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 62.32 111.173 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -72.95 -32.77 65.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 54.41 110.88 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -68.31 -35.88 78.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 75.11 110.889 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.8 ptm -87.29 -40.62 14.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 65.24 110.842 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.94 -45.55 67.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 71.43 111.106 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -58.57 -37.5 75.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.5 110.913 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -65.06 -41.03 95.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 74.55 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 -74.2 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 60.11 110.877 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 65.6 42.37 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 63.25 110.867 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 40.0 mt -98.04 150.24 4.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 75.54 111.105 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -76.98 61.04 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.866 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.409 HG13 ' O ' ' A' ' 33' ' ' VAL . 6.0 p -124.22 121.76 62.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 44.3 111.107 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.85 133.22 52.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.831 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.447 HG21 HD22 ' A' ' 19' ' ' ASN . 3.7 mt -89.09 145.48 7.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 73.51 111.128 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.524 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -134.32 149.06 50.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 73.3 110.908 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -122.71 120.55 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 70.32 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.663 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -144.16 171.57 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.152 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -82.94 161.69 21.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.901 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.679 HG23 HG23 ' A' ' 41' ' ' THR . 7.0 tp -54.08 -36.7 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.31 111.121 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.679 HG23 HG23 ' A' ' 40' ' ' ILE . 27.9 p -94.71 28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 64.51 111.147 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.5 tp10 -120.16 -24.34 6.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.2 110.879 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.715 HG21 HD22 ' A' ' 53' ' ' LEU . 7.3 p -68.61 -23.91 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 64.11 111.137 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.26 -66.37 1.73 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.746 -0.74 . . . . 51.03 112.505 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -20.3 35.28 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.703 2.268 . . . . 55.01 112.332 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.634 ' HB3' HD11 ' A' ' 5' ' ' LEU . 14.0 m-85 -91.84 36.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 63.33 110.903 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -89.23 -36.29 15.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 71.11 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.78 -61.51 1.75 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 71.51 110.888 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.3 p -56.37 -51.51 68.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 63.34 111.15 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -80.99 119.57 23.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 65.13 111.111 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -84.31 -50.58 7.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 63.12 110.899 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.843 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -99.19 145.48 27.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 63.45 110.942 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.715 HD22 HG21 ' A' ' 43' ' ' VAL . 19.8 tp -136.64 146.17 45.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.52 110.944 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.659 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.3 t -142.59 120.53 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.42 111.155 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -148.27 159.96 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 72.4 111.114 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.66 HG22 ' HB3' ' A' ' 70' ' ' ALA . 19.1 p -100.55 -39.56 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.11 111.124 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.44 -179.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 61.14 111.079 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -59.72 163.6 4.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 64.14 110.888 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.443 HG21 HG11 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -149.09 103.88 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 73.02 111.178 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.58 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 74.41 110.914 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -108.65 50.96 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 70.15 110.902 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -127.94 34.83 4.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 61.4 110.905 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -111.44 147.0 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.43 110.916 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -108.35 42.58 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 70.24 110.891 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.1 p90 -168.13 158.0 8.78 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.624 0.726 . . . . 71.45 110.933 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 82.46 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.757 2.304 . . . . 44.2 112.32 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG11 HG21 ' A' ' 59' ' ' THR . 43.6 t -56.44 147.5 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 64.15 111.108 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.843 HD12 HD11 ' A' ' 52' ' ' LEU . 10.4 mt -131.51 119.96 44.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 72.43 111.164 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -63.35 137.49 58.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 71.41 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.66 ' HB3' HG22 ' A' ' 56' ' ' THR . . . -95.08 34.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 75.12 111.089 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -61.42 -34.54 75.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 71.13 110.844 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.01 -30.84 71.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.34 110.852 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.718 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 35.7 m-85 -88.83 45.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 73.14 110.88 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -116.43 -34.36 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 74.04 110.934 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 17.7 p -86.11 -63.0 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 72.34 111.198 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 159.01 -22.11 0.3 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.76 -0.733 . . . . 62.52 112.515 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.37 176.86 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 74.51 111.147 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.84 7.04 59.02 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.73 . . . . 64.31 112.5 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.718 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.5 mt -60.82 -48.54 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.807 0.336 . . . . 62.21 111.136 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -52.49 -35.99 54.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 51.24 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -60.63 -68.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.51 110.899 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.549 ' O ' HD12 ' A' ' 86' ' ' ILE . 95.4 m -56.6 -35.75 68.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.31 111.156 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -51.68 -34.15 37.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.901 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -56.9 -34.65 68.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 73.41 110.949 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 50.1 mm-40 -71.58 -49.04 44.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 60.45 110.911 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.782 HG13 HD13 ' A' ' 68' ' ' ILE . 4.0 mp -63.74 -49.28 82.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 71.54 111.125 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.475 HD11 ' HG2' ' A' ' 91' ' ' GLN . 18.0 tp -52.0 -35.77 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 72.13 110.976 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 82.3 m -51.27 -31.26 20.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 63.2 111.118 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -97.59 -41.09 8.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 71.31 110.9 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.452 ' HG ' HG22 ' A' ' 86' ' ' ILE . 60.9 mt -51.1 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 72.32 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.475 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.9 pp0? -96.77 31.42 2.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.952 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 70.25 110.904 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.357 . . . . 44.2 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.641 ' HE2' HD12 ' A' ' 90' ' ' LEU . 11.9 mmmt -134.29 83.45 2.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.882 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -69.41 98.96 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 62.14 110.912 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.414 HG22 ' HB2' ' A' ' 52' ' ' LEU . 43.0 t -108.51 115.28 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 61.31 111.103 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.525 HD21 ' HB3' ' A' ' 46' ' ' TYR . 10.8 mp -75.74 173.91 10.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.472 . . . . 51.1 110.921 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 98.7 t -150.28 99.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 71.32 111.136 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.764 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -101.92 156.41 17.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 74.31 111.097 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 p -130.63 169.2 15.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 72.43 110.876 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.34 53.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 72.31 112.519 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -115.47 -50.63 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 61.44 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.15 -124.17 1.14 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 51.11 112.447 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.2 mt -74.67 92.87 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 71.25 111.146 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.63 176.84 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 64.53 111.126 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.32 164.24 28.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 71.1 111.159 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.8 p -95.48 49.53 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.25 110.878 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.595 HG22 ' ND2' ' A' ' 20' ' ' ASN . 1.2 m -119.52 -41.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.132 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.1 t -55.05 -41.35 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.145 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.808 HG22 ' HB3' ' A' ' 73' ' ' PHE . 21.4 t -59.44 -60.77 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 64.53 111.145 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.479 HD22 HG21 ' A' ' 35' ' ' ILE . 1.2 t-20 -58.59 -52.32 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 72.03 110.88 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.595 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.2 m-80 -51.81 -29.01 17.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 71.01 110.912 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.03 -60.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 62.15 111.073 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.711 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 47.7 mm -51.69 -33.52 15.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 74.33 111.172 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.32 -32.58 62.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 71.22 110.88 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.47 -31.47 70.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 74.22 110.898 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.575 ' CE ' HG21 ' A' ' 79' ' ' ILE . 15.8 ptp -92.33 -41.08 10.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.86 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.38 -42.57 67.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.02 111.063 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -58.29 -38.92 77.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 70.22 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 19.5 tp10 -69.08 -36.06 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 72.25 110.847 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -73.2 -26.48 61.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 72.41 110.846 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 66.18 43.68 2.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 64.24 110.886 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 mt -106.04 151.27 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 71.42 111.162 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.88 73.57 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 72.13 110.911 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.03 129.27 62.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 72.22 111.104 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.28 78.31 1.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 70.3 110.831 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.479 HG21 HD22 ' A' ' 19' ' ' ASN . 5.3 mt -55.57 133.15 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.32 111.121 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 147.11 47.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 64.2 110.903 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -123.03 129.17 51.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 63.23 110.918 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.46 174.05 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.34 111.163 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -82.05 161.23 23.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 74.32 110.894 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.91 -37.66 34.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 73.54 111.118 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.1 t -95.96 29.45 2.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.142 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -119.78 -23.11 6.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 62.24 110.855 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 53' ' ' LEU . 6.8 p -68.5 -23.57 28.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 64.51 111.129 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.21 -67.07 1.45 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.759 . . . . 72.32 112.509 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -21.29 33.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.696 2.264 . . . . 61.42 112.335 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.525 ' HB3' HD21 ' A' ' 5' ' ' LEU . 15.8 m-85 -92.34 37.85 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.15 110.882 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -99.41 -36.18 9.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 75.54 110.908 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.97 -63.05 1.21 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.833 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.6 p -56.0 -51.43 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 61.23 111.119 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -64.32 141.68 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.34 111.109 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -89.74 -59.96 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 64.14 110.872 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.742 ' CD1' HG23 ' A' ' 86' ' ' ILE . 3.8 mt -108.41 168.15 9.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 73.32 110.899 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 43' ' ' VAL . 27.6 tp -148.94 137.13 20.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.918 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 1.032 HG12 ' HB2' ' A' ' 70' ' ' ALA . 28.5 t -135.98 112.51 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 55.13 111.113 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.764 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 5.6 t -142.35 143.1 32.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 60.54 111.133 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -64.18 -35.46 80.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 55.41 111.151 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.567 ' O ' HG23 ' A' ' 55' ' ' THR . . . -100.53 -171.65 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 64.11 111.077 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.7 ptp -148.32 -177.69 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 51.23 110.861 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.503 HG22 ' CE1' ' A' ' 63' ' ' TYR . 14.5 t -137.51 174.27 10.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 64.43 111.113 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -80.15 -35.99 35.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.847 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.84 166.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 63.33 110.921 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -104.48 110.22 22.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.34 110.856 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.503 ' CE1' HG22 ' A' ' 59' ' ' THR . 65.9 m-85 -70.8 150.28 46.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 61.21 110.957 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -100.32 36.36 1.89 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 74.0 110.928 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.46 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -165.73 158.16 12.84 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.689 0.757 . . . . 73.14 110.841 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 79.95 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.703 2.269 . . . . 71.43 112.339 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.54 ' O ' HD13 ' A' ' 68' ' ' ILE . 46.7 t -52.66 147.13 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 71.42 111.141 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.54 HD13 ' O ' ' A' ' 67' ' ' VAL . 31.9 mm -129.42 110.02 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 75.01 111.146 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -51.72 131.16 30.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 51.4 110.888 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 1.032 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.79 34.62 1.49 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 64.54 111.05 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -68.56 -34.84 76.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 64.11 110.845 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -61.09 -30.92 70.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.04 110.912 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.808 ' HB3' HG22 ' A' ' 18' ' ' VAL . 78.3 m-85 -90.45 45.54 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 73.04 110.909 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.3 mt -116.49 -35.04 4.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 72.23 110.921 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.9 p -101.19 -39.79 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 72.41 111.14 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 77' ' ' ILE . . . 125.27 31.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.748 . . . . 44.34 112.463 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.497 HG23 ' O ' ' A' ' 76' ' ' GLY . 1.3 pp -158.29 176.3 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.831 0.348 . . . . 72.44 111.174 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.69 37.68 89.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.706 -0.759 . . . . 50.11 112.495 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.77 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 75.8 mt -87.64 -33.48 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.774 0.321 . . . . 54.23 111.091 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -72.29 -34.54 68.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.853 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.03 -33.67 75.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 61.34 110.888 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.647 ' O ' HD12 ' A' ' 86' ' ' ILE . 54.5 m -93.46 -34.1 13.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 74.4 111.134 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 13.5 mmmt -50.18 -45.57 53.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.926 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -50.36 -44.78 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 70.41 110.914 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -57.0 -46.21 82.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 72.32 110.951 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' A' ' 52' ' ' LEU . 4.1 mp -69.36 -53.95 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 44.32 111.138 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.6 tp -50.06 -32.81 16.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.922 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.9 m -49.99 -30.26 10.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.41 111.097 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.18 -32.13 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.641 HD12 ' HE2' ' A' ' 2' ' ' LYS . 4.1 tp -49.43 -63.61 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 74.3 110.93 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -93.1 -38.9 11.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 74.23 110.928 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.85 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.808 0.337 . . . . 54.21 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.576 ' HE2' HD12 ' A' ' 90' ' ' LEU . 3.0 mmmm -98.77 71.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 72.41 110.921 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -51.87 112.65 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 72.15 110.916 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 2' ' ' LYS . 91.2 t -108.61 109.59 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 74.51 111.151 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.734 HD13 ' HB3' ' A' ' 36' ' ' LYS . 4.3 mm? -77.4 172.32 13.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 65.35 110.863 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG11 HE22 ' A' ' 37' ' ' GLN . 95.3 t -150.31 106.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.479 . . . . 74.23 111.086 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.29 161.04 21.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.01 111.131 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.6 p -158.51 130.66 6.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 42.41 110.857 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -134.96 -50.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 55.4 112.463 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.88 103.84 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.878 0.371 . . . . 62.32 111.072 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 77.1 113.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 20.3 tt -52.22 134.74 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.867 0.365 . . . . 74.02 111.123 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -175.33 -174.14 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 61.43 111.072 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.4 p -128.22 104.34 7.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.119 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 58.8 p -68.61 87.84 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 71.2 110.891 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -121.04 -52.05 2.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 72.24 111.167 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -51.42 -40.03 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 75.13 111.112 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.756 HG13 ' CE2' ' A' ' 73' ' ' PHE . 46.0 t -62.21 -67.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.42 111.145 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -51.36 -42.47 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 75.13 110.904 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 63.43 110.881 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.48 -33.72 36.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 35.21 111.091 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.654 HG23 ' HE2' ' A' ' 83' ' ' LYS . 48.0 mm -77.57 -38.34 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 74.25 111.129 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -64.73 -35.74 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 65.51 110.908 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -76.69 -34.97 58.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 74.35 110.908 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.2 mtt -74.0 -50.02 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 70.3 110.897 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.65 -33.47 33.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 74.41 111.112 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -69.57 -43.61 72.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 70.14 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -60.07 -35.91 76.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 72.13 110.879 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -80.23 -28.67 38.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 71.53 110.907 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 65.48 45.18 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.865 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.4 mt -98.98 151.12 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 72.42 111.132 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -75.39 69.25 2.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.916 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG21 HD21 ' A' ' 90' ' ' LEU . 7.3 p -138.4 127.45 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.54 111.156 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -103.29 162.67 12.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 71.41 110.858 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.2 mt -121.61 150.06 24.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 75.0 111.133 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.734 ' HB3' HD13 ' A' ' 5' ' ' LEU . 1.3 ttmm -149.82 145.0 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 75.11 110.894 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.456 HE22 HG11 ' A' ' 6' ' ' VAL . 9.8 mm100 -116.11 120.73 39.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 60.03 110.923 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.621 HD12 HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -142.68 177.93 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.13 111.153 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HB3' HG22 ' A' ' 41' ' ' THR . 0.1 OUTLIER -98.03 166.45 11.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.931 179.834 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.735 ' O ' HG12 ' A' ' 43' ' ' VAL . 2.2 mp -56.54 -28.48 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.127 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.412 HG22 ' HB3' ' A' ' 39' ' ' LYS . 5.1 t -81.71 -27.58 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 53.31 111.141 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -80.48 -23.84 39.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 53.12 110.897 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.735 HG12 ' O ' ' A' ' 40' ' ' ILE . 3.6 p -68.26 -20.97 26.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.42 111.143 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -48.63 -67.4 1.68 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.753 -0.737 . . . . 73.34 112.552 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -20.04 35.01 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 72.51 112.312 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -93.41 34.99 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 74.12 110.929 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.99 -59.06 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.42 110.856 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -66.42 -51.37 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.453 . . . . 72.35 110.863 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -53.46 -54.38 37.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.469 . . . . 64.52 111.149 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.68 165.83 11.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.12 111.119 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -110.05 -49.79 3.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.11 110.875 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.527 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -117.88 150.33 39.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.904 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.527 ' H ' HD13 ' A' ' 52' ' ' LEU . 22.2 tp -140.03 146.06 38.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 71.43 110.885 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.692 HG13 ' O ' ' A' ' 68' ' ' ILE . 92.9 t -137.78 121.53 21.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 63.04 111.147 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.0 t -149.93 147.86 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.169 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p -98.09 36.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 74.45 111.11 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.75 -172.33 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 64.31 111.13 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -119.83 164.63 15.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 55.04 110.901 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.9 m -161.26 160.8 30.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 75.45 111.21 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 47.5 mmtt -89.4 49.24 1.72 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 65.51 110.889 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt 51.85 52.83 13.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 63.4 110.896 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -113.17 36.31 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 70.25 110.902 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.683 ' CD1' HG21 ' A' ' 67' ' ' VAL . 29.1 m-85 -119.2 144.75 46.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.12 -0.491 . . . . 74.42 110.9 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -101.87 39.39 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 72.14 110.907 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -171.48 158.41 4.79 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.661 0.743 . . . . 51.42 110.877 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 82.95 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.679 2.253 . . . . 72.22 112.313 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 63' ' ' TYR . 97.9 t -57.68 139.6 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.12 111.139 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.692 ' O ' HG13 ' A' ' 54' ' ' VAL . 25.7 mm -115.51 107.71 23.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 71.5 111.154 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -63.33 128.48 36.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 75.52 110.879 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' HB2' ' CG1' ' A' ' 54' ' ' VAL . . . -95.13 35.81 1.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 65.23 111.127 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.729 ' O ' HG23 ' A' ' 75' ' ' THR . 0.0 OUTLIER -68.57 -42.01 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 73.1 110.887 -179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -53.15 -35.16 59.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 64.11 110.929 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.756 ' CE2' HG13 ' A' ' 18' ' ' VAL . 13.0 m-85 -58.73 -26.34 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 74.44 110.875 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.41 34.51 4.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.474 . . . . 64.54 110.922 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 71' ' ' ARG . 65.5 p -128.03 -39.18 1.77 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 75.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 177.11 36.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.683 -0.77 . . . . 73.22 112.446 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.4 mt 51.8 60.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.857 0.36 . . . . 61.21 111.122 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -99.79 42.23 2.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 51.5 112.475 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.4 mt -69.55 -34.67 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.817 0.341 . . . . 63.03 111.131 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -51.66 -35.62 43.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 73.32 110.88 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -86.57 -43.73 12.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 75.32 110.879 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.73 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.5 m -58.76 -59.26 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.55 111.14 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.654 ' HE2' HG23 ' A' ' 22' ' ' ILE . 13.0 tptp -51.8 -35.17 43.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 75.33 110.914 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -60.23 -35.77 76.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 70.54 110.915 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 55.2 mm-40 -76.61 -52.11 10.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.31 110.904 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -58.82 -48.07 87.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.14 111.14 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 5.3 tp -53.69 -34.66 59.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 60.11 110.909 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 25.5 m -49.79 -33.88 17.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 72.02 111.175 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -105.4 -34.76 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 63.04 110.909 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.576 HD12 ' HE2' ' A' ' 2' ' ' LYS . 8.1 tp -51.26 -62.25 1.73 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 74.42 110.888 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -97.36 -34.13 11.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.909 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.7 tttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 64.14 110.908 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.829 0.347 . . . . 73.22 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -97.61 155.69 16.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.12 110.906 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -134.27 119.22 18.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 75.53 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 ' HB2' ' A' ' 52' ' ' LEU . 21.9 t -128.17 118.1 47.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 72.42 111.125 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.825 ' HB2' HD13 ' A' ' 53' ' ' LEU . 3.5 mm? -81.63 178.83 8.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.903 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.2 t -150.29 90.31 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 65.13 111.133 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.4 92.26 4.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 62.44 111.101 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t -128.72 116.8 20.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 62.4 110.885 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.38 80.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 63.42 112.467 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -88.74 111.74 22.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 54.23 111.118 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.01 -73.37 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 35.44 112.49 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mm -118.26 -42.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 63.35 111.136 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.86 155.14 35.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 54.31 111.089 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.4 t -137.27 145.02 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 62.24 111.136 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 t -82.05 111.45 18.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 55.51 110.87 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 m -123.78 -55.53 1.71 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 54.44 111.143 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.4 t -51.91 -52.39 23.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.121 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.781 HG22 ' HB3' ' A' ' 73' ' ' PHE . 38.5 t -51.65 -64.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 71.4 111.111 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -51.87 -56.27 15.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 73.3 110.945 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -50.88 -32.41 20.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.32 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -77.06 -53.11 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 64.43 111.092 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.613 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 48.6 mm -57.82 -52.05 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 73.03 111.157 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -50.74 -34.18 26.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.866 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.26 -38.07 68.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.916 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.0 mmt -72.75 -50.7 22.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.914 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.41 -34.53 35.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 62.03 111.057 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.2 mtpt -64.87 -42.54 94.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 64.21 110.883 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -61.07 -35.69 77.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 72.3 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -82.89 -30.34 28.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 74.24 110.882 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 65.06 45.09 3.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 75.3 110.92 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 32' ' ' LYS . 30.3 mt -96.01 155.59 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 44.44 111.154 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -77.09 59.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 72.12 110.92 179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.8 m -105.49 127.31 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 74.1 111.149 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -103.02 99.78 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 62.32 110.849 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.35 139.13 21.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 70.52 111.149 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.52 ' HB3' HD13 ' A' ' 5' ' ' LEU . 2.3 mmtm -143.44 145.82 32.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 74.35 110.909 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.69 122.36 14.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 61.14 110.926 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.642 HD12 HD12 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -141.48 178.54 2.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.35 111.087 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -95.55 158.26 15.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.43 110.883 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.715 ' O ' HG12 ' A' ' 43' ' ' VAL . 11.1 tp -51.71 -30.61 11.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.31 111.161 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.4 t -82.17 -30.05 31.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.153 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -95.8 28.52 3.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 63.4 110.882 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.715 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.5 p -120.95 22.15 5.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 73.02 111.122 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -61.81 -67.85 1.92 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.746 -0.74 . . . . 74.12 112.514 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.67 -19.46 36.5 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.666 2.244 . . . . 73.02 112.383 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -92.86 38.23 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.3 110.908 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -107.12 -36.11 6.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.475 . . . . 73.04 110.929 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -103.35 -43.99 5.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.23 110.872 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.2 p -52.94 -54.75 30.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 51.33 111.11 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.41 159.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 55.33 111.084 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.686 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.6 OUTLIER -106.78 -38.86 5.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 64.53 110.82 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.686 HD22 ' O ' ' A' ' 51' ' ' ASP . 3.8 mm? -130.61 169.13 16.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.183 -0.462 . . . . 64.45 110.92 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.825 HD13 ' HB2' ' A' ' 5' ' ' LEU . 21.9 tp -163.6 136.87 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 65.35 110.939 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 70' ' ' ALA . 29.5 t -117.98 119.57 61.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 54.22 111.139 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 t -139.67 148.61 42.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 65.41 111.155 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 29.6 p -76.88 -35.95 57.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 73.05 111.189 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.02 158.17 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 74.43 111.129 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -89.48 176.68 6.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 73.01 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.562 HG22 ' CE1' ' A' ' 63' ' ' TYR . 14.6 t -135.13 173.68 11.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.156 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -74.2 -36.72 64.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.286 -0.415 . . . . 75.21 110.893 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.3 ttmm -54.81 172.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 73.42 110.932 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -110.0 112.88 25.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 61.34 110.847 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.562 ' CE1' HG22 ' A' ' 59' ' ' THR . 41.9 m-85 -79.66 135.05 36.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 62.13 110.952 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.5 mmpt? -96.18 36.64 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 72.03 110.899 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.425 ' CE2' HD23 ' A' ' 53' ' ' LEU . 1.2 p90 -162.03 157.81 20.52 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.691 0.757 . . . . 73.52 110.869 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 81.09 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.673 2.249 . . . . 54.51 112.4 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG22 ' HE2' ' A' ' 65' ' ' PHE . 47.7 t -53.47 146.69 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 65.12 111.081 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.5 mm -117.93 148.45 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 72.22 111.159 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -86.82 138.42 31.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 73.42 110.883 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.533 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -112.34 35.85 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 61.12 111.092 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -64.21 -36.09 82.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 70.03 110.818 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -71.38 -33.72 69.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 74.44 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.781 ' HB3' HG22 ' A' ' 18' ' ' VAL . 49.2 m-85 -68.36 -29.31 68.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 75.14 110.913 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.47 -35.48 19.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.955 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 4.8 t -96.42 -33.05 12.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 62.42 111.159 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.551 ' O ' HD13 ' A' ' 77' ' ' ILE . . . 97.62 32.64 6.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.749 -0.739 . . . . 74.41 112.476 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.551 HD13 ' O ' ' A' ' 76' ' ' GLY . 27.3 mm -139.54 147.91 23.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 74.43 111.136 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.01 48.95 30.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 64.43 112.513 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.632 HD13 ' HB1' ' A' ' 21' ' ' ALA . 74.4 mt -85.9 -34.38 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.352 . . . . 72.21 111.163 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -69.5 -43.5 72.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.25 110.891 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -54.48 -46.5 73.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.496 . . . . 65.42 110.87 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.699 ' O ' HD12 ' A' ' 86' ' ' ILE . 5.4 m -78.87 -36.98 41.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 71.3 111.115 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.566 ' HD3' HD12 ' A' ' 22' ' ' ILE . 9.0 mmmt -51.86 -33.58 37.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 72.11 110.849 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.26 -34.95 77.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 75.22 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -71.02 -51.24 26.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.927 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.85 HG22 HD11 ' A' ' 90' ' ' LEU . 3.5 mp -64.68 -48.16 85.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.51 111.121 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 90' ' ' LEU . 14.7 tp -51.51 -34.01 34.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 71.22 110.898 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 89.0 m -52.03 -30.34 25.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 45.31 111.158 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.64 ' CD ' HD11 ' A' ' 52' ' ' LEU . 12.7 pt-20 -112.8 29.11 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 62.23 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.85 HD11 HG22 ' A' ' 86' ' ' ILE . 81.5 mt -126.14 -35.54 2.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 65.14 110.896 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -115.61 -25.17 7.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 74.53 110.894 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.922 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 ttp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.825 0.345 . . . . 43.4 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.527 ' O ' HG23 ' A' ' 4' ' ' VAL . 0.5 OUTLIER -122.42 79.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 61.33 110.849 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -57.77 123.14 14.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 72.32 110.883 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 2' ' ' LYS . 63.3 t -130.95 133.5 62.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 63.25 111.086 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.83 HD11 ' HB3' ' A' ' 46' ' ' TYR . 55.2 mt -89.53 175.45 7.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 74.53 110.867 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.5 t -150.17 87.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 64.33 111.16 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -103.54 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 22.33 111.096 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 p -169.4 165.38 10.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 71.55 110.894 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.87 50.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 74.13 112.497 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.09 36.08 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.83 0.348 . . . . 64.35 111.091 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.86 36.09 54.66 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.772 -0.728 . . . . 64.55 112.536 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -97.14 149.46 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 73.11 111.155 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.7 -59.69 3.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.44 111.051 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 m -159.61 162.67 35.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 65.44 111.137 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.4 p -98.46 42.17 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 65.13 110.829 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -75.79 -47.65 24.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 64.5 111.185 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.2 t -51.8 -47.0 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 64.5 111.148 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.9 t -53.96 -68.14 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 72.43 111.137 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.573 ' OD1' HG21 ' A' ' 35' ' ' ILE . 11.0 t30 -51.72 -40.09 59.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.862 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.1 -32.87 74.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 62.03 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.73 -41.2 21.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.102 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.646 HD12 ' HE3' ' A' ' 83' ' ' LYS . 50.6 mm -68.12 -49.48 67.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.4 111.098 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 -35.64 37.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 71.1 110.868 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -72.87 -39.6 66.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 61.03 110.927 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtt -68.38 -49.46 59.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 64.4 110.933 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.47 -35.59 40.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 74.31 111.124 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -46.27 82.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 75.1 110.885 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 16.9 tp10 -59.02 -37.58 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 63.4 110.84 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -79.64 -30.44 41.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.854 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 64.83 42.28 4.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.24 110.882 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 46.2 mt -94.02 149.54 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 55.02 111.147 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -76.36 65.52 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 71.44 110.891 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.4 p -118.23 142.34 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 75.1 111.116 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.71 123.78 46.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.158 -0.474 . . . . 74.45 110.908 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.573 HG21 ' OD1' ' A' ' 19' ' ' ASN . 51.6 mt -86.11 147.76 5.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.116 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.636 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -144.63 139.31 27.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.05 110.906 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -115.02 123.57 49.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 63.43 110.881 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.512 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -140.69 168.56 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 72.14 111.149 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 160.2 24.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 72.14 110.879 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.699 HG23 HG23 ' A' ' 41' ' ' THR . 6.6 tp -52.25 -38.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.105 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.699 HG23 HG23 ' A' ' 40' ' ' ILE . 31.5 p -94.87 28.97 2.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 71.34 111.142 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -119.63 -21.87 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.642 HG21 HD22 ' A' ' 53' ' ' LEU . 6.8 p -68.73 -24.09 28.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 73.44 111.095 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.14 -66.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 70.01 112.527 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -20.96 34.12 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.657 2.238 . . . . 73.23 112.348 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.83 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.1 m-85 -92.06 37.13 0.98 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.45 . . . . 75.34 110.955 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -94.59 -35.94 12.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.503 . . . . 72.01 110.899 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -76.8 -65.05 0.99 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 72.21 110.884 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.74 -42.76 62.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 63.22 111.104 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -82.2 144.03 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 70.45 111.092 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.23 -60.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 64.11 110.88 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.824 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -96.71 137.24 36.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.13 110.895 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 43' ' ' VAL . 19.1 tp -127.28 117.59 22.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.936 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.8 t -113.25 111.91 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 71.43 111.139 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 57' ' ' ALA . 6.7 t -151.75 143.69 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.175 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.1 p -64.03 -35.71 81.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 73.5 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.597 ' O ' HG23 ' A' ' 55' ' ' THR . . . -100.52 -169.86 1.78 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 61.34 111.108 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.2 ptm -156.41 172.99 17.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 53.32 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.554 HG23 ' OH ' ' A' ' 63' ' ' TYR . 66.3 p -104.35 -175.06 2.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 73.25 111.101 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -97.63 -36.27 10.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 73.14 110.915 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -56.55 177.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 73.45 110.87 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -94.91 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 64.22 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.554 ' OH ' HG23 ' A' ' 59' ' ' THR . 9.0 m-85 -62.7 160.74 13.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 74.42 110.895 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 35.99 4.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.102 -0.499 . . . . 74.2 110.873 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.456 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.0 OUTLIER -169.83 158.1 6.55 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.655 0.741 . . . . 73.35 110.876 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 85.44 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.686 2.257 . . . . 74.54 112.325 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 63' ' ' TYR . 47.7 t -61.19 146.66 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.119 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.826 HD13 HG12 ' A' ' 86' ' ' ILE . 4.0 mt -130.29 130.16 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 61.34 111.087 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -87.76 123.51 32.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 75.21 110.865 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.54 ' HB1' ' CD1' ' A' ' 73' ' ' PHE . . . -95.15 44.07 1.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 74.4 111.108 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.6 mmt85 -61.48 -40.04 93.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.21 110.862 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -52.78 -41.04 63.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 74.43 110.9 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.725 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 49.1 m-85 -55.0 -35.27 64.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 65.43 110.914 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 17.5 mt -88.13 -34.59 17.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 72.3 110.911 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.5 t -154.98 112.38 3.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 60.23 111.183 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 144.92 -36.81 1.39 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.72 . . . . 62.23 112.517 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.7 mm 56.02 62.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 53.45 111.085 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -151.37 49.85 0.54 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 54.14 112.485 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.725 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 70.2 mt -51.35 -52.26 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.829 0.347 . . . . 60.31 111.136 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -51.72 -36.0 45.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 74.11 110.858 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -61.48 -39.76 92.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 73.45 110.871 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.679 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -80.22 -43.67 21.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 31.24 111.14 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.646 ' HE3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.78 -34.94 41.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 72.31 110.945 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -59.5 -35.54 74.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 73.01 110.977 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -77.68 -51.93 9.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 43.11 110.961 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.826 HG12 HD13 ' A' ' 68' ' ' ILE . 2.7 mp -58.22 -50.12 79.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 73.21 111.17 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 12.9 tp -51.89 -34.58 41.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 75.55 110.923 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.3 m -50.31 -33.9 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 70.12 111.123 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -104.58 -39.61 6.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 65.34 110.901 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.89 -55.17 38.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.33 110.909 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -36.21 73.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 70.42 110.885 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 74.4 110.928 179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 ptt? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.863 0.363 . . . . 71.21 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.692 ' HE2' HD12 ' A' ' 90' ' ' LEU . 7.7 mmmt -78.79 86.46 4.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 72.04 110.932 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -62.16 125.77 25.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.426 . . . . 71.15 110.95 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.571 HG22 ' HB2' ' A' ' 52' ' ' LEU . 48.6 t -133.65 137.69 52.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 65.21 111.131 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.815 HD11 ' HB3' ' A' ' 46' ' ' TYR . 44.6 mt -97.59 172.59 7.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 71.22 110.934 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 91.4 t -149.85 106.67 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 64.24 111.157 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.58 175.67 5.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.109 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.4 p -158.18 172.65 18.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 74.43 110.896 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -94.16 147.82 18.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 63.1 112.507 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.84 104.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.885 0.374 . . . . 72.14 111.117 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.1 -167.54 17.64 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 61.33 112.49 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' H ' HD12 ' A' ' 12' ' ' ILE . 5.4 mp -78.84 -58.84 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 61.14 111.11 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -55.42 144.92 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 72.34 111.122 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 25.3 p -97.5 -179.3 4.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 70.23 111.159 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 p -105.71 42.48 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.52 110.866 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.646 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.3 OUTLIER -89.73 -49.74 6.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 71.54 111.13 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 89.3 t -51.56 -47.32 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 65.23 111.095 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.6 t -54.01 -67.29 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 74.23 111.133 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' A' ' 35' ' ' ILE . 6.3 t30 -51.62 -55.15 20.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 70.34 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.646 ' ND2' HG22 ' A' ' 16' ' ' THR . 6.3 m-80 -51.57 -33.81 34.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 70.21 110.924 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -75.48 -55.53 5.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 51.12 111.11 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.631 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 51.2 mm -55.41 -53.17 38.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 71.22 111.129 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -51.36 -33.75 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.875 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -71.45 -35.89 71.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 73.32 110.919 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mtt -76.0 -49.03 18.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 63.55 110.872 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.79 60.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 63.13 111.13 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.5 mmtm -60.47 -43.56 96.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 71.41 110.912 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.08 -35.58 81.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 73.3 110.853 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -75.32 -27.44 59.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 63.14 110.825 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 65.84 43.91 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.865 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.26 152.46 7.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 75.04 111.155 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.7 mttp -73.65 74.11 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 61.11 110.879 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.2 t -109.76 137.19 43.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 62.53 111.096 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.89 83.54 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 43.35 110.894 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.4 HG21 ' OD1' ' A' ' 19' ' ' ASN . 81.8 mt -61.66 143.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 75.24 111.104 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -151.58 137.23 17.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 70.1 110.901 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -114.85 133.4 55.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 43.43 110.929 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.59 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.09 172.83 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 60.3 111.144 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -82.36 162.58 22.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.21 110.876 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.485 HG22 HG23 ' A' ' 41' ' ' THR . 0.4 OUTLIER -57.28 -28.74 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 64.34 111.141 179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.485 HG23 HG22 ' A' ' 40' ' ' ILE . 58.6 p -98.48 25.94 5.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 75.54 111.141 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -121.89 -24.48 5.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 73.52 110.846 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG21 ' CD2' ' A' ' 53' ' ' LEU . 14.9 p -68.4 -23.97 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 71.4 111.138 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.32 -66.78 1.58 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 63.42 112.437 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -21.44 33.6 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.687 2.258 . . . . 52.44 112.321 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.815 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.4 m-85 -92.39 37.9 1.0 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 65.01 110.956 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -91.89 -36.27 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.5 . . . . 74.21 110.864 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -75.07 -64.43 1.05 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.835 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.0 p -51.77 -55.69 18.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 71.31 111.11 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -65.14 130.91 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 63.13 111.132 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.38 -64.6 1.11 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.571 ' HB2' HG22 ' A' ' 4' ' ' VAL . 4.3 mm? -96.22 155.25 16.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 53.52 110.876 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.61 ' CD2' HG21 ' A' ' 43' ' ' VAL . 25.1 tp -149.03 126.13 11.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 73.13 110.932 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 68' ' ' ILE . 37.8 t -122.55 120.92 62.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 71.53 111.156 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.8 t -153.01 149.57 28.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 73.44 111.171 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.4 p -66.56 -35.92 81.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 61.42 111.111 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.55 -170.01 2.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 63.34 111.076 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.1 ttm -165.14 167.68 17.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.13 110.871 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.555 HG23 ' OH ' ' A' ' 63' ' ' TYR . 72.0 p -111.55 -176.24 2.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 61.41 111.111 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -95.76 77.1 3.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 65.3 110.926 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.9 ttpp 52.03 55.6 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 64.4 110.932 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -131.86 36.14 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.845 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.683 ' CD1' HG21 ' A' ' 67' ' ' VAL . 16.1 m-85 -126.06 130.86 51.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 72.44 110.923 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -94.69 38.64 1.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.111 -0.495 . . . . 71.44 110.864 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.98 158.03 9.01 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.617 0.722 . . . . 70.44 110.887 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 88.41 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 70.11 112.379 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.683 HG21 ' CD1' ' A' ' 63' ' ' TYR . 61.7 t -63.18 145.78 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 64.03 111.133 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.402 ' O ' HG13 ' A' ' 54' ' ' VAL . 25.9 mm -123.5 112.22 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 75.23 111.112 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -51.69 137.85 24.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 72.4 110.897 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.11 34.33 1.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.33 111.073 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -74.56 -35.05 63.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.444 . . . . 64.34 110.884 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -60.9 -27.75 68.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 65.04 110.871 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.802 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 25.3 m-85 -89.24 44.79 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 74.23 110.868 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 7.8 mt -145.28 32.57 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 72.03 110.947 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 22.0 p -132.26 -54.32 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 74.41 111.131 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.07 -31.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 65.12 112.482 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 77' ' ' ILE . 6.6 mt -142.68 34.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.895 0.378 . . . . 70.52 111.139 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -106.19 65.43 0.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 35.45 112.454 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.802 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 39.6 mt -125.6 -54.34 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 71.23 111.114 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -50.7 -35.68 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 61.42 110.901 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.64 -51.16 70.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 73.5 110.866 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.772 HG22 HD11 ' A' ' 86' ' ' ILE . 7.9 m -69.92 -44.56 69.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 63.05 111.148 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.402 ' HG3' HG22 ' A' ' 79' ' ' ILE . 0.0 OUTLIER -51.36 -34.25 33.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 71.44 110.895 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -60.12 -35.43 75.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 73.23 110.929 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -75.29 -51.67 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 75.45 110.919 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.772 HD11 HG22 ' A' ' 82' ' ' THR . 3.4 mp -60.51 -38.96 79.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 73.3 111.159 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.1 tp -62.07 -35.67 79.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.893 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.49 -34.53 36.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 73.33 111.201 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.489 ' OE1' HD11 ' A' ' 52' ' ' LEU . 11.8 pt-20 -100.45 -36.44 9.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 74.32 110.897 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.692 HD12 ' HE2' ' A' ' 2' ' ' LYS . 11.3 tp -53.24 -63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.923 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -105.64 32.49 4.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.927 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 72.22 110.949 179.906 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.852 0.358 . . . . 74.52 110.87 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -130.21 91.84 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 74.01 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -69.38 114.01 7.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 71.42 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 91.3 t -118.34 141.83 35.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 60.42 111.133 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' A' ' 46' ' ' TYR . 42.5 mt -99.54 169.54 9.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 74.42 110.883 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.4 t -148.0 90.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.13 111.121 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -102.64 157.67 16.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 75.1 111.128 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 p -171.8 133.94 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 54.42 110.863 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.89 62.51 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 62.21 112.484 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.16 -53.13 2.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 62.44 111.133 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.53 42.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.777 -0.725 . . . . 61.04 112.459 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 10.8 tp -141.57 149.42 20.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.855 0.36 . . . . 65.42 111.128 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -50.61 -73.87 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 44.44 111.092 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.41 151.46 38.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 74.43 111.121 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.6 p -76.17 81.42 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 72.12 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 m -88.18 -51.68 5.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 73.21 111.12 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 99.1 t -52.67 -48.19 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 64.31 111.105 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.9 t -54.37 -66.52 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 60.24 111.112 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.625 ' OD1' HG21 ' A' ' 35' ' ' ILE . 17.6 t30 -52.09 -42.54 63.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 74.33 110.851 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -61.87 -32.81 73.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 64.45 110.905 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -43.79 21.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 75.03 111.14 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.726 HD12 ' HE3' ' A' ' 83' ' ' LYS . 50.2 mm -66.52 -50.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 62.31 111.15 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -51.34 -35.92 40.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 53.4 110.874 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -70.5 -36.86 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 73.51 110.882 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.8 mtt -73.19 -48.88 31.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.15 110.876 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.29 -43.08 61.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 71.13 111.113 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -58.88 -44.74 91.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 60.14 110.886 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.5 -35.72 78.47 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.899 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -78.21 -27.94 47.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.883 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 65.52 45.38 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 72.33 110.897 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.8 mt -105.83 151.87 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 71.42 111.12 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.7 73.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.953 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG22 HD12 ' A' ' 90' ' ' LEU . 20.1 t -107.27 134.28 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 72.01 111.132 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.6 86.98 2.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 64.51 110.899 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.625 HG21 ' OD1' ' A' ' 19' ' ' ASN . 58.4 mt -67.97 135.71 27.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 70.43 111.15 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.5 151.6 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 70.54 110.912 179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -123.67 132.21 53.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 73.32 110.962 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.58 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.34 171.97 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.04 111.152 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.29 161.55 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 63.1 110.911 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.665 HG23 HG23 ' A' ' 41' ' ' THR . 7.3 tp -54.36 -37.09 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 62.53 111.155 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.665 HG23 HG23 ' A' ' 40' ' ' ILE . 41.5 p -95.03 28.15 2.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 72.34 111.123 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -119.12 -23.34 6.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 71.4 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 53' ' ' LEU . 7.0 p -68.7 -23.55 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 52.54 111.132 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -46.2 -66.82 1.54 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.75 . . . . 70.44 112.526 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -21.24 33.79 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.672 2.248 . . . . 70.41 112.339 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.826 ' HB3' HD11 ' A' ' 5' ' ' LEU . 15.6 m-85 -92.23 37.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 75.12 110.941 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -96.01 -35.74 11.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 70.41 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.8 -64.43 1.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 75.33 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.6 t -51.75 -42.73 62.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 65.22 111.145 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -77.42 142.0 39.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 74.33 111.101 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -96.91 -60.74 1.53 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.85 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 53' ' ' LEU . 0.2 OUTLIER -102.7 149.72 24.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 72.13 110.896 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.543 ' H ' HD13 ' A' ' 52' ' ' LEU . 31.7 tp -140.7 138.53 34.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 75.15 110.905 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 70' ' ' ALA . 21.9 t -133.25 125.15 50.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 71.21 111.121 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -149.64 162.95 39.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 62.45 111.124 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p -111.34 -36.24 5.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 61.13 111.149 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.97 -175.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 51.01 111.087 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -54.26 161.43 1.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.44 110.894 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -152.54 100.59 2.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 72.55 111.145 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.4 mttt -60.98 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 65.23 110.854 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -111.15 70.48 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.897 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -150.17 35.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.904 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 -107.26 133.52 51.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 73.3 110.918 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -96.07 37.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 73.21 110.902 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.49 157.92 13.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.748 . . . . 72.33 110.887 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 87.64 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.653 2.235 . . . . 75.01 112.375 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.3 t -63.04 147.62 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 63.41 111.172 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -128.55 129.11 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 63.35 111.143 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -74.99 140.02 43.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 71.33 110.892 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.489 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -110.79 35.52 3.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 63.11 111.055 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.9 mtt180 -72.56 -37.96 68.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 75.54 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -52.24 -35.77 50.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.11 110.898 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.683 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 25.2 m-85 -62.06 -35.9 80.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.88 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.6 mt -85.4 -35.07 21.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.929 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 75' ' ' THR . 2.0 t -145.93 107.07 4.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 74.41 111.14 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.8 -39.08 1.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.785 -0.722 . . . . 54.12 112.539 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 18.5 mt 56.21 57.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.882 0.373 . . . . 71.55 111.139 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -144.98 51.68 0.61 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.755 -0.735 . . . . 73.13 112.517 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.683 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 57.3 mt -51.15 -38.07 18.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 74.44 111.126 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -57.86 -36.0 71.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 73.03 110.879 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -60.79 -54.93 39.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 75.24 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.732 ' O ' HD12 ' A' ' 86' ' ' ILE . 1.1 m -67.41 -46.97 71.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 44.35 111.154 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.726 ' HE3' HD12 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -51.73 -34.74 40.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.32 110.863 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -61.79 -35.31 77.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 75.41 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -75.42 -52.07 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 63.44 110.942 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 82' ' ' THR . 2.8 mp -60.89 -47.88 91.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 70.41 111.171 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 22.4 tp -52.21 -40.86 62.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 72.11 110.874 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 97.1 m -49.91 -31.01 11.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 63.1 111.149 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -99.14 -49.72 4.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 74.4 110.857 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD12 HG22 ' A' ' 33' ' ' VAL . 2.6 mm? -51.5 -45.91 63.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.162 -0.472 . . . . 75.35 110.957 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -74.7 -47.33 32.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.875 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.936 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.865 0.364 . . . . 74.13 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -118.22 80.26 1.5 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.865 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -68.39 99.72 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 61.23 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.637 HG13 ' C ' ' A' ' 52' ' ' LEU . 47.8 t -112.57 130.43 66.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 74.01 111.131 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.879 HD13 HG13 ' A' ' 43' ' ' VAL . 4.7 mt -94.71 174.72 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.881 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 75.2 t -149.79 102.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.171 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.614 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -133.75 102.64 5.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 75.21 111.083 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.5 p -84.71 -171.79 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.843 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.695 ' HA3' ' HB2' ' A' ' 57' ' ' ALA . . . -129.82 61.05 0.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 64.22 112.511 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -125.72 135.07 51.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 75.12 111.141 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.5 -35.26 71.72 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.729 -0.748 . . . . 40.32 112.472 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -75.17 -37.93 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 75.31 111.156 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.04 52.87 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 72.2 111.128 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -99.73 43.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 62.24 111.114 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 p -77.23 73.23 3.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 74.44 110.88 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 m -109.86 -50.59 2.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 74.42 111.157 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.76 -45.06 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 51.31 111.132 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.816 HG22 ' HB3' ' A' ' 73' ' ' PHE . 25.6 t -55.63 -64.95 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 63.54 111.115 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -53.24 -56.98 12.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 75.55 110.86 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -51.15 -34.03 29.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 35.15 110.915 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.18 -58.03 3.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 63.35 111.083 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.709 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 49.0 mm -54.96 -53.77 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.03 111.143 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -51.11 -33.21 25.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.482 . . . . 54.52 110.903 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -74.38 -35.98 63.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 75.14 110.849 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.5 mmt -73.68 -49.01 27.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 72.44 110.934 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.0 -43.26 60.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 64.42 111.081 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -57.66 -44.08 85.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 62.25 110.888 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -60.35 -35.72 76.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.851 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -80.22 -26.87 38.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.892 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 65.91 47.79 1.95 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 73.33 110.941 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.8 mt -106.28 152.13 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.129 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.3 mmmt -73.79 74.02 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 74.11 110.854 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.6 t -109.16 137.07 42.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 61.4 111.119 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -119.3 85.57 2.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 75.32 110.845 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.5 mt -64.05 138.7 22.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 63.15 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.782 ' HB3' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -136.68 157.52 46.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.861 179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -142.64 108.41 5.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 75.12 110.884 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.997 HD11 HG22 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -141.13 171.33 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.43 111.12 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.479 ' O ' HG23 ' A' ' 43' ' ' VAL . 32.5 mttp -69.52 150.84 46.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.909 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.614 HD13 ' HB1' ' A' ' 7' ' ' ALA . 39.9 mm -47.36 -54.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 71.05 111.155 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.4 t -61.45 -30.24 70.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 73.45 111.127 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -11.79 60.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.874 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.997 HG22 HD11 ' A' ' 38' ' ' ILE . 3.1 t -89.86 36.23 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 73.41 111.109 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.24 -66.79 1.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 64.31 112.528 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.73 -18.95 36.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.684 2.256 . . . . 74.1 112.385 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.757 ' HB3' HD11 ' A' ' 5' ' ' LEU . 35.3 m-85 -92.66 37.93 1.01 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 75.55 110.914 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -93.93 -51.09 5.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 74.42 110.929 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -84.49 -48.87 9.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 64.25 110.861 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.8 p -51.81 -57.56 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 73.55 111.172 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 158.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 41.31 111.109 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -97.8 -52.14 3.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 61.34 110.807 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.637 ' C ' HG13 ' A' ' 4' ' ' VAL . 26.6 mt -134.67 168.34 19.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 64.03 110.885 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.803 HD13 ' HB2' ' A' ' 5' ' ' LEU . 25.7 tp -153.37 119.74 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 71.32 110.928 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.1 t -100.2 129.28 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 73.44 111.147 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 t -155.51 159.69 39.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 63.14 111.172 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.437 HG22 ' HB3' ' A' ' 70' ' ' ALA . 26.0 p -101.73 -41.03 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 71.3 111.142 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.695 ' HB2' ' HA3' ' A' ' 9' ' ' GLY . . . -52.56 156.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.131 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.83 75.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.51 110.834 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.4 159.96 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 71.25 111.15 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 26.0 tttp -109.95 -36.32 5.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.849 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -52.49 162.81 0.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 74.42 110.916 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -91.89 94.54 9.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 75.51 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.636 ' CD1' HG21 ' A' ' 67' ' ' VAL . 30.0 m-85 -59.4 166.25 2.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 70.42 110.944 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -108.5 38.77 2.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 73.13 110.955 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -178.79 159.46 1.04 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.619 0.723 . . . . 74.35 110.935 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 79.41 0.93 Allowed 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.739 2.292 . . . . 73.45 112.338 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.636 HG21 ' CD1' ' A' ' 63' ' ' TYR . 90.2 t -51.6 137.2 10.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 60.34 111.146 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD13 HG13 ' A' ' 86' ' ' ILE . 10.9 mt -111.51 116.12 51.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 61.53 111.098 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -57.41 129.2 40.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 32.12 110.866 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.851 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -95.06 35.81 1.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 54.54 111.086 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -71.05 -35.41 71.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 73.53 110.853 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -65.63 -20.67 66.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.04 110.929 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.816 ' HB3' HG22 ' A' ' 18' ' ' VAL . 81.0 m-85 -90.1 39.11 0.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 64.3 110.887 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.6 mt -134.75 -63.07 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 62.5 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.1 t -146.22 33.55 0.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 73.03 111.162 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -111.04 -31.71 2.81 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 75.14 112.54 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 8.2 mt 53.32 44.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 60.11 111.163 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -135.25 44.55 1.17 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 62.44 112.448 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.585 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 56.0 mt -51.37 -35.13 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 72.42 111.124 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -54.88 -35.65 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 63.21 110.913 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -65.42 -33.1 75.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.103 -0.498 . . . . 62.53 110.878 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.675 ' O ' HD12 ' A' ' 86' ' ' ILE . 2.9 m -85.95 -31.6 22.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 51.43 111.165 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.473 ' CD ' HG22 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -50.36 -52.68 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.875 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -51.62 -42.18 61.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.871 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -59.21 -46.75 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 75.31 110.938 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.675 HD12 ' O ' ' A' ' 82' ' ' THR . 2.7 mp -69.07 -52.48 33.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 71.03 111.106 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 ' HG2' ' A' ' 91' ' ' GLN . 13.2 tp -50.49 -32.64 18.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 73.34 110.941 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.6 m -49.82 -31.2 11.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 71.42 111.143 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -114.1 -32.62 5.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.276 -0.42 . . . . 72.43 110.899 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.537 HD13 ' CG2' ' A' ' 86' ' ' ILE . 1.9 tp -49.84 -57.74 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.113 -0.494 . . . . 63.43 110.93 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.407 ' HG2' HD11 ' A' ' 87' ' ' LEU . 1.7 pp0? -114.95 32.82 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 63.13 110.966 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 75.12 110.895 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 71.1 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' HG23 ' A' ' 4' ' ' VAL . 12.6 mmmt -118.64 83.41 2.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 64.44 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -58.73 112.8 1.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 65.44 110.936 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.517 HG22 ' HB3' ' A' ' 52' ' ' LEU . 95.3 t -118.87 140.18 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 65.12 111.127 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.769 HD11 ' HB3' ' A' ' 46' ' ' TYR . 36.0 mt -97.02 176.26 6.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 71.41 110.93 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 96.8 t -150.0 106.84 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 71.04 111.149 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.78 ' HB3' ' HB ' ' A' ' 55' ' ' THR . . . -118.32 79.89 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 72.44 111.098 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -118.87 63.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 73.15 110.878 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 172.22 133.96 1.72 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 43.24 112.47 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -118.26 66.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 64.5 111.108 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.27 -79.44 0.27 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 63.42 112.477 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 65.5 mt -93.5 92.14 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.852 0.358 . . . . 74.04 111.116 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -172.47 153.94 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 55.52 111.113 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.5 p -93.88 -35.61 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 72.12 111.154 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.3 p 52.56 36.45 20.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 74.45 110.824 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.5 HG22 ' ND2' ' A' ' 20' ' ' ASN . 2.6 m -104.33 -35.59 7.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 73.05 111.146 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -51.64 -50.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 73.11 111.135 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.759 HG22 ' HB3' ' A' ' 73' ' ' PHE . 24.1 t -56.27 -61.58 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 70.52 111.139 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t30 -52.01 -60.11 3.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 54.32 110.866 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.5 ' ND2' HG22 ' A' ' 16' ' ' THR . 2.0 m-80 -51.72 -34.53 39.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 73.51 110.932 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.584 ' HB1' HD13 ' A' ' 79' ' ' ILE . . . -69.84 -56.81 6.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 64.14 111.081 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.621 HD11 ' CZ ' ' A' ' 73' ' ' PHE . 48.8 mm -55.28 -54.86 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 72.11 111.133 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.8 pt-20 -52.28 -33.6 42.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 63.41 110.865 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -63.95 -33.27 75.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 71.32 110.894 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.5 mmt -88.34 -43.63 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 72.01 110.904 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.52 -40.09 58.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 74.54 111.158 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -32.73 71.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 61.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -78.95 -35.87 42.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 74.32 110.888 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -75.09 -29.93 60.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 71.53 110.846 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 65.2 40.45 4.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 55.25 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.8 mt -96.18 150.08 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 72.43 111.149 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.78 67.3 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 72.41 110.943 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.73 126.22 73.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 65.55 111.11 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.74 105.79 15.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 73.11 110.852 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.472 HD11 HG22 ' A' ' 22' ' ' ILE . 36.6 mt -73.0 143.9 13.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.33 111.153 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? -147.69 134.87 20.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 71.13 110.896 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -112.67 131.03 55.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 73.24 110.935 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.669 HD12 HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -143.7 177.8 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.42 111.104 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -79.33 154.23 29.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.44 110.893 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.644 ' O ' HG12 ' A' ' 43' ' ' VAL . 8.3 tp -50.67 -29.83 7.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 70.44 111.123 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.8 p -86.47 -31.8 21.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 73.32 111.131 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -25.66 62.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 73.11 110.868 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.2 p -64.46 -27.36 42.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 62.3 111.132 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.59 -68.06 1.32 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 65.44 112.458 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -22.39 31.95 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.661 2.24 . . . . 72.03 112.316 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.769 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.4 m-85 -92.71 35.09 1.04 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.959 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -92.64 -42.49 9.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.076 -0.511 . . . . 74.12 110.905 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -72.08 -59.37 2.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 71.14 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.0 p -53.6 -52.4 59.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.122 -0.49 . . . . 73.42 111.127 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' A' ' 46' ' ' TYR . . . -65.99 141.31 58.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 72.22 111.07 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -97.27 -48.82 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 65.53 110.825 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.816 HD11 HD12 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -112.5 139.78 47.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 55.31 110.877 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.531 ' N ' HD13 ' A' ' 52' ' ' LEU . 26.4 tp -129.66 132.72 46.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 75.31 110.947 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.497 HG12 ' HB2' ' A' ' 70' ' ' ALA . 38.2 t -128.83 120.81 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.117 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.78 ' HB ' ' HB3' ' A' ' 7' ' ' ALA . 2.1 t -150.77 150.57 31.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 71.41 111.159 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.516 ' CG2' ' HB3' ' A' ' 70' ' ' ALA . 36.3 p -81.99 -38.64 24.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.152 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.9 -175.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 62.14 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.3 mtm -117.4 -175.42 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 71.33 110.859 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -156.0 163.14 40.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 53.51 111.112 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -113.79 -36.07 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.31 110.865 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -52.67 170.59 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 73.04 110.866 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -94.29 106.02 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 64.3 110.883 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.473 ' CD1' HG21 ' A' ' 67' ' ' VAL . 16.8 m-85 -75.82 156.94 33.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.44 110.936 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -115.78 35.84 4.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 53.14 110.903 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.455 ' HE2' HD23 ' A' ' 53' ' ' LEU . 1.1 p90 -168.46 158.03 8.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 74.42 110.884 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 85.19 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 53.14 112.38 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.473 HG21 ' CD1' ' A' ' 63' ' ' TYR . 44.4 t -61.26 147.26 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 55.51 111.128 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 52' ' ' LEU . 4.3 mt -130.93 138.51 53.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 72.2 111.141 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -77.41 141.79 39.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 72.12 110.931 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB3' ' CG2' ' A' ' 56' ' ' THR . . . -100.93 35.18 2.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 64.11 111.115 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.1 mmm-85 -59.62 -48.21 82.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.891 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -53.0 -28.98 26.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.14 110.827 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.759 ' HB3' HG22 ' A' ' 18' ' ' VAL . 87.5 m-85 -88.59 45.18 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.881 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.2 tp -94.22 -34.96 12.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 73.43 110.911 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.8 t -122.23 -34.29 3.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 72.2 111.142 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.96 41.1 0.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 43.14 112.49 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 38.6 mt -146.23 143.93 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 63.22 111.158 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.11 25.49 71.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 44.11 112.456 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.709 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 85.6 mt -56.93 -38.82 61.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.759 0.314 . . . . 74.41 111.12 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -52.0 -34.61 43.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 51.45 110.918 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.12 -67.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 73.22 110.849 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.631 ' O ' HD12 ' A' ' 86' ' ' ILE . 12.6 m -70.25 -43.28 70.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 72.21 111.138 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.429 ' HD3' HD12 ' A' ' 22' ' ' ILE . 44.1 tptt -51.39 -35.3 38.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.25 110.89 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.05 -35.82 69.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 74.25 110.912 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -72.08 -49.48 36.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 72.51 110.879 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.724 HG13 HD13 ' A' ' 68' ' ' ILE . 4.4 mp -62.48 -40.89 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 73.22 111.112 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.6 tp -63.52 -35.14 79.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 62.33 110.873 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 96.7 m -51.05 -30.21 15.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 64.32 111.121 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.12 -45.45 4.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 71.24 110.858 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.712 HD12 HG22 ' A' ' 86' ' ' ILE . 4.3 mt -51.14 -42.56 60.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 72.15 110.907 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -79.89 -46.96 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.919 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 70.41 110.917 179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 ttp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.878 0.371 . . . . 74.24 110.846 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.643 ' O ' HG23 ' A' ' 4' ' ' VAL . 7.0 mmmt -127.46 78.13 1.8 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 72.23 110.937 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -53.64 114.15 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 61.14 110.888 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 2' ' ' LYS . 98.7 t -119.98 125.67 74.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 74.35 111.158 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.732 HD11 ' HB3' ' A' ' 46' ' ' TYR . 46.8 mt -94.13 168.89 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 50.12 110.912 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.5 t -150.4 82.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 75.32 111.148 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.35 83.19 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 62.44 111.076 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.02 -40.05 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 53.03 110.892 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.57 94.37 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.688 -0.768 . . . . 54.5 112.444 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -168.95 143.28 3.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.337 . . . . 74.24 111.131 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.38 -37.76 48.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 53.5 112.482 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.0 mt -72.03 -36.32 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 74.32 111.149 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.61 51.76 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.35 111.101 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -111.71 70.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 53.21 111.19 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 p -97.84 37.95 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.04 110.845 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.92 -38.01 12.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 70.01 111.127 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.7 t -52.54 -35.65 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 74.34 111.071 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.747 HG13 ' CE2' ' A' ' 73' ' ' PHE . 33.1 t -70.88 -63.8 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 53.25 111.13 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.483 ' OD1' HG21 ' A' ' 35' ' ' ILE . 9.0 t30 -51.61 -43.79 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 61.34 110.886 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -60.14 -29.33 68.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 73.41 110.853 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.38 -40.41 16.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 34.15 111.121 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.434 HD12 ' HD3' ' A' ' 83' ' ' LYS . 48.4 mm -68.51 -38.03 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 74.23 111.123 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.92 -35.37 79.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 73.55 110.857 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -64.51 -45.28 87.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 62.34 110.872 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.448 ' HE2' ' HB3' ' A' ' 25' ' ' MET . 20.2 ptp -76.6 -42.13 43.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 72.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.88 -39.75 69.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 61.24 111.066 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -60.95 -38.73 86.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 75.43 110.946 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -68.2 -36.53 79.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 60.13 110.887 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.59 -29.62 52.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.839 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 65.44 42.48 3.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 71.43 110.85 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.5 mt -96.04 149.78 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 70.3 111.156 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.4 mtpt -76.84 62.17 2.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 72.04 110.897 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.1 m -104.99 129.86 56.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 43.43 111.137 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -105.57 86.89 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 65.34 110.862 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.483 HG21 ' OD1' ' A' ' 19' ' ' ASN . 41.0 mt -61.21 144.13 14.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 61.25 111.174 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.79 -177.95 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.844 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -164.2 130.12 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 72.42 110.912 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.567 HD13 ' H ' ' A' ' 38' ' ' ILE . 0.1 OUTLIER -144.57 -175.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 64.22 111.147 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -90.53 158.46 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.877 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 43' ' ' VAL . 10.7 tp -51.95 -28.0 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 71.53 111.104 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.5 p -85.29 -31.42 23.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.129 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -71.85 -28.45 63.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 62.41 110.902 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.648 HG12 ' O ' ' A' ' 40' ' ' ILE . 9.9 p -71.3 -17.4 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.097 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.75 -66.94 1.74 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.77 . . . . 71.21 112.534 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.02 36.63 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.691 2.261 . . . . 60.1 112.341 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.732 ' HB3' HD11 ' A' ' 5' ' ' LEU . 16.6 m-85 -92.37 37.7 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 73.41 110.899 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -93.39 -36.07 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.44 110.862 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -80.96 -53.69 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 71.05 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.1 p -55.19 -61.21 2.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 74.12 111.154 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.03 136.48 47.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 72.31 111.067 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -96.18 -36.94 10.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 75.04 110.864 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.667 HD23 ' CD ' ' A' ' 89' ' ' GLU . 1.1 tm? -131.86 132.17 43.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 74.34 110.924 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.663 ' N ' HD13 ' A' ' 52' ' ' LEU . 32.0 tp -130.72 131.93 45.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 41.45 110.9 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.877 HG12 ' HB2' ' A' ' 70' ' ' ALA . 22.9 t -123.95 118.05 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 70.21 111.118 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 t -121.42 137.2 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 73.41 111.179 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.6 p -60.81 -42.5 97.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 74.2 111.17 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -96.69 152.03 19.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.442 . . . . 74.25 111.093 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -72.81 158.61 35.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.928 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.1 t -151.2 167.49 27.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 64.01 111.109 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -139.88 105.46 5.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.41 110.878 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -158.42 168.12 27.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.451 . . . . 74.31 110.898 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -79.49 63.99 4.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 72.52 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -71.54 152.86 42.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 73.02 110.919 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -105.29 37.75 2.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 72.23 110.893 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -167.67 157.99 9.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 74.34 110.954 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 82.14 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.658 2.239 . . . . 44.24 112.332 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.477 ' O ' HD13 ' A' ' 68' ' ' ILE . 61.6 t -52.78 143.07 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 61.33 111.087 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.629 HG21 HD11 ' A' ' 86' ' ' ILE . 26.7 mm -131.0 143.62 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 74.42 111.123 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -84.16 138.5 32.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 74.01 110.871 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.877 ' HB2' HG12 ' A' ' 54' ' ' VAL . . . -107.09 35.2 3.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 41.4 111.076 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -66.92 -35.87 80.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.874 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 47.5 t-20 -58.6 -35.74 72.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 65.1 110.89 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.747 ' CE2' HG13 ' A' ' 18' ' ' VAL . 21.6 m-85 -63.07 -35.8 81.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 45.1 110.871 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 tp -84.58 -35.47 22.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 75.43 110.878 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 75' ' ' THR . 2.2 t -148.84 108.53 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 72.51 111.137 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.467 ' C ' HD12 ' A' ' 77' ' ' ILE . . . 145.37 -35.16 1.46 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 75.21 112.471 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.467 HD12 ' C ' ' A' ' 76' ' ' GLY . 3.0 mp 51.88 54.23 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 75.25 111.104 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.36 51.38 0.73 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.759 -0.734 . . . . 65.52 112.512 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.625 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 79.6 mt -51.33 -34.68 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 63.44 111.123 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -62.31 -35.5 79.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.879 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.52 -55.24 33.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 75.11 110.863 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.523 ' O ' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -69.29 -51.7 34.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 72.22 111.126 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.434 ' HD3' HD12 ' A' ' 22' ' ' ILE . 9.3 tptm -53.06 -32.22 45.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 61.01 110.881 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.13 -32.48 62.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 62.24 110.928 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -91.68 -51.43 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 55.22 110.878 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.629 HD11 HG21 ' A' ' 68' ' ' ILE . 3.4 mt -55.18 -34.34 32.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 63.3 111.139 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' A' ' 90' ' ' LEU . 28.3 tp -71.27 -23.8 62.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 73.42 110.902 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 59.8 m -50.72 -33.21 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 64.54 111.139 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.667 ' CD ' HD23 ' A' ' 52' ' ' LEU . 5.4 pt-20 -91.78 -32.59 15.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 72.34 110.914 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.579 ' HB2' HD12 ' A' ' 87' ' ' LEU . 6.3 mp -50.96 -36.18 37.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.883 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.43 -42.17 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 70.02 110.894 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 51.33 110.873 179.948 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 mtt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.787 0.327 . . . . 62.43 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.591 ' HE3' HD12 ' A' ' 90' ' ' LEU . 1.1 mmmp? -84.33 69.99 10.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 74.11 110.891 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -57.34 115.26 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 71.34 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 2' ' ' LYS . 75.0 t -118.69 135.3 59.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 71.31 111.119 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.678 HD23 HD12 ' A' ' 38' ' ' ILE . 7.2 mp -115.99 171.63 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 75.0 110.961 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.6 t -147.06 108.89 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 73.42 111.119 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.42 75.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 70.23 111.086 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' SG ' HG22 ' A' ' 56' ' ' THR . 95.0 m -92.49 159.26 15.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 45.41 110.901 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.9 123.74 2.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 43.51 112.515 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HB3' ' O ' ' A' ' 13' ' ' ALA . . . -172.84 157.02 3.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 65.22 111.092 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -73.93 -33.74 56.99 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 50.15 112.455 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.6 mt -118.75 -37.37 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 72.01 111.108 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' O ' ' HB3' ' A' ' 10' ' ' ALA . . . -84.72 78.08 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 62.22 111.067 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.7 p -67.36 -176.6 0.6 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 62.23 111.135 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 85.0 p -94.88 38.5 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 72.42 110.838 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.684 HG22 ' ND2' ' A' ' 20' ' ' ASN . 0.2 OUTLIER -108.37 -38.75 5.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 70.14 111.153 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.5 t -55.04 -39.87 51.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 74.41 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 73' ' ' PHE . 20.1 t -59.8 -63.99 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.093 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -57.46 -45.34 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.51 110.898 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.684 ' ND2' HG22 ' A' ' 16' ' ' THR . 1.8 m-80 -52.4 -28.36 19.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.873 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.06 -58.17 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.45 111.094 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.548 HD11 ' HZ ' ' A' ' 73' ' ' PHE . 49.5 mm -50.83 -31.26 9.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 72.32 111.12 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.6 -38.1 88.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 75.42 110.84 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -76.1 -30.27 58.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 72.44 110.901 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.477 ' HE3' HD13 ' A' ' 79' ' ' ILE . 40.4 mtt -76.68 -57.66 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.832 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.99 -34.94 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 62.52 111.115 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -65.92 -42.72 89.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 74.51 110.9 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -61.94 -39.06 90.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 74.05 110.924 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.8 -27.26 61.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 72.34 110.839 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 65.77 42.63 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.887 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 41.8 mt -100.1 149.64 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.33 111.143 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -76.11 67.98 2.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 74.12 110.863 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 2' ' ' LYS . 7.2 p -130.39 127.9 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.53 111.119 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -96.12 159.0 15.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.12 110.873 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -122.66 136.2 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 51.3 111.119 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -143.69 170.81 15.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 60.53 110.92 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -157.33 121.28 4.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 73.43 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.678 HD12 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -142.47 178.28 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.35 111.146 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.45 ' HB3' HG22 ' A' ' 41' ' ' THR . 4.5 tttp -99.09 163.87 12.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 72.32 110.922 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.699 ' O ' HG12 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -52.82 -27.93 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 64.2 111.102 179.883 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 39' ' ' LYS . 10.9 t -82.57 -30.99 29.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.167 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -95.53 27.46 3.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 74.12 110.863 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.699 HG12 ' O ' ' A' ' 40' ' ' ILE . 5.5 p -121.82 22.28 4.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 72.3 111.145 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.3 -68.05 1.9 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 62.22 112.468 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -19.77 35.65 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.672 2.248 . . . . 62.2 112.346 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -92.91 38.33 1.03 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 64.12 110.957 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -93.5 -36.74 12.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 63.21 110.856 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -113.64 -36.89 4.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 63.35 110.86 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.9 p -51.57 -47.68 63.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 65.22 111.167 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.641 ' HB2' HD13 ' A' ' 5' ' ' LEU . . . -59.31 120.42 9.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 64.42 111.093 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -73.94 -35.81 64.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 73.44 110.866 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.589 HD11 ' CG1' ' A' ' 68' ' ' ILE . 0.3 OUTLIER -145.49 133.13 20.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.922 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' A' ' 5' ' ' LEU . 62.5 tp -126.36 133.06 51.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 73.15 110.94 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.661 HG12 ' HB2' ' A' ' 70' ' ' ALA . 39.4 t -120.43 122.57 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 63.35 111.101 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.5 t -140.91 161.02 38.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 65.53 111.147 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.405 HG22 ' SG ' ' A' ' 8' ' ' CYS . 1.3 t -120.65 -33.63 3.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 63.04 111.144 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.94 -169.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 72.24 111.081 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.4 mmt -101.38 149.45 24.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 75.01 110.866 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.68 HG21 ' OH ' ' A' ' 63' ' ' TYR . 3.9 m -161.38 157.05 24.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 62.41 111.124 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -68.31 -174.79 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.15 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -103.32 69.57 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 74.12 110.933 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -136.05 46.67 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 73.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.68 ' OH ' HG21 ' A' ' 59' ' ' THR . 18.4 m-85 -111.06 131.72 54.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 75.42 110.926 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -95.36 36.26 1.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 74.53 110.882 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -162.65 157.92 19.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.633 0.73 . . . . 72.43 110.868 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 80.27 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 2.259 . . . . 72.44 112.346 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.646 HG21 ' CD1' ' A' ' 63' ' ' TYR . 79.7 t -51.75 144.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 42.3 111.138 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.715 HG21 HD11 ' A' ' 86' ' ' ILE . 45.3 mm -115.0 126.02 72.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 63.51 111.091 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -66.06 134.33 52.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.899 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.665 ' HB1' ' HB2' ' A' ' 73' ' ' PHE . . . -116.12 35.64 4.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 71.24 111.09 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 mmm180 -54.18 -35.95 62.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.859 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -73.69 -34.89 65.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 42.15 110.881 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.691 ' CZ ' HG23 ' A' ' 79' ' ' ILE . 48.0 m-85 -64.21 -30.51 71.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 64.12 110.884 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.4 -34.83 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.107 -0.497 . . . . 73.24 110.896 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.0 t -102.05 -33.5 9.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 73.51 111.185 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.52 ' O ' HD13 ' A' ' 77' ' ' ILE . . . 99.1 31.99 6.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 70.43 112.487 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.52 HD13 ' O ' ' A' ' 76' ' ' GLY . 23.9 mm -141.48 145.2 24.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.377 . . . . 75.11 111.131 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.96 43.3 49.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 65.24 112.489 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.691 HG23 ' CZ ' ' A' ' 73' ' ' PHE . 74.2 mt -74.88 -47.8 35.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.827 0.346 . . . . 52.22 111.128 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -52.02 -35.89 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 75.05 110.912 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.64 -37.74 66.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.908 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.719 ' O ' HD12 ' A' ' 86' ' ' ILE . 3.4 m -87.98 -37.68 16.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 64.24 111.115 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -51.54 -32.24 27.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 50.5 110.923 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -57.63 -34.21 69.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 65.12 110.904 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.3 mm-40 -81.64 -51.81 7.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.54 110.862 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.719 HD12 ' O ' ' A' ' 82' ' ' THR . 3.4 mp -57.3 -52.16 60.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.127 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 14.4 tp -51.18 -32.4 23.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 70.22 110.933 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 m -49.91 -30.93 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 75.45 111.102 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -114.54 -31.89 6.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 75.35 110.868 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.591 HD12 ' HE3' ' A' ' 2' ' ' LYS . 8.0 tp -50.55 -45.06 56.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 64.24 110.958 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -121.75 -35.14 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 74.13 110.947 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.5 tttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 64.14 110.893 179.95 . . . . . . . . 0 0 . 1 stop_ save_